Cancer Drug Database

Description

Prescribing information packets1 for Food and Drug Administration (FDA) approved chemotherapy drugs contain important pharmacological and chemical data such as, chemical structure, water solubility, and ADME/tox (absorption, distribution, metabolism, excretion, and toxicity) properties. In this project2,3 we evaluated 85 FDA cancer drug profiles, extracted various pharmacokinetic properties, and created a Cancer Drug database. The database was created utilizing a commercially available software platform called the KnowItAll® Informatics System. We chose drugs on the basis of the functional groups present in their chemical structure and on the drug's documented physicochemical parameters. This database could be used to evaluate Structure Activity Relationships (SARs) and one could also use this database to analyze or predict a chemotherapy compounds' missing pharmacokinetic properties.


Compound Information

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ID

Structure*

Name

Molecular Weight

Formula

Water Solubility(mg/ml)

Comments

Synonyms

Tradename

Classification I

Mutagenicity

Teratogenicity

Neurotoxicity

Oncogenicity

pKa.1

Bioavailability

Elimination (Half-Life)

Plasma Protein Binding

Volume Distribution

Rate of Absorption

IUPAC Name

Classification II
CD:00001 9-cis-retinoic acid 300.44 C20 H28 O2 0.01 Gel alitretinoin Panretin Endogenous retinoid 0 0                   Endogenous retinoid
CD:00002 N-[4-(acridin-9-ylamino)-3-methoxyphenyl 1]-methane sulfonamide 393.46 C21 H19 N3 O3 S 0.001 Injection amsacrine, AMSA, acridinyl anisidide, Cain's Acridine Amsa P-D Potent cytotoxic agent 0 0         8 - 9 96 - 98   0   Potent cytotoxic agent
CD:00003 4-amino-1-B-D-ribofuranosyl-s-triazin-2(1H)-one 244.21 C8 H12 N4 O5 0.001 Injection azacitidine, 5-AC, 5-azacytidine, azacytidine, ladakamycin Vidaza, Mylosar Nucleoside metabolic inhibitor 0 0       89 4   0.714 - 1.46     Nucleoside metabolic inhibitor
CD:00004 1H-benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1 methyl-, monohydrochloride 394.73 C16 H22 Cl3 N3 O2   Injection bendamustine hydrochloride, bendamustin hydrochloride, bendamustine, cytostasan hydrochloride Treanda Alkylating drug 0 0       100 3 94 - 96 0.357     Alkylating drug
CD:00005 [(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl) amino]propyl]amino]butyl] boronic acid 384.24 C19 H25 B N4 O4 3.3 - 3.8 Injection bortezomib Velcade Antineoplastic agent 1 0       100 40 - 108         Antineoplastic agent
CD:00006 1,4-butanediol dimethanesulfonate 246.29 C6 H14 O6 S2   Tablets busulfan, BSF, Bussulfam, Busulfanum, busulphan, glyzophrol, methanesulfonic acid, tetramethylene ester, Myeleukon, Myeloleukon, Myelosan, Mylecytan, Sulfabutin, tetramethylene bis(methanesulfonate) Myleran, Busulfex Bifunctional alkylating agent 0 0                   Bifunctional alkylating agent
CD:00007 5'-deoxy-5-fluoro-N-[(pentyloxy) carbonyl]-cytidine 359.35 C15 H22 F N3 O6 26 Tablets capecitabine Xeloda Fluoropyrimidine carbomate with antineoplastic activity 0 0           60       Fluoropyrimidine carbomate with antineoplastic activity
CD:00008 4-[bis(2-chlorethyl)amino]benzenebutanoic acid 304.22 C14 H19 Cl2 N O2   Tablets chlorambucil, chlorambucilum, chloraminophen, Chlorbutin, chlorbutine, chlorbutinum, chloroambucil, chlorobutin, chlorobutine, Leukersan, Leukoran, Lympholysin, phenylbutyric acid nitrogen mustard Leukeran, Ambochlorin, Amboclorin, Linfolizin Bifunctional alkylating agent of the nitrogen mustard type 0 0     5.8   1.5 99       Bifunctional alkylating agent of the nitrogen mustard type
CD:00009 2-chloro-6-amino-9-(2-deoxy-B-D-erythropento-furanosyl) 285.69 C10 H12 Cl N5 O3   Injection cladribine, Cladribina Leustatin Synthetic antineoplastic agent 0 0       100 5.4 20       Synthetic antineoplastic agent
CD:00010 N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, monohydrate 506.02 C22 H28 Cl N7 O3 S 0 Tablets dasatinib Sprycel Kinase inhibitor 0 0                   Kinase inhibitor
CD:00011 (S)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione 268.27 C11 H16 N4 O4 0.001 Injection dexrazoxane, dexrazoxane hydrochloride dexrazoxane Potent intracellular chelating agent 0 0     2.1 100 2.1 - 2.5 0 0.32     Potent intracellular chelating agent
CD:00012 (2R,3S)-N-carboxy-3-phenylisoserine, N-tert-butyl ester, 13-ester with 5B-20-epoxy-1,2a, 4, 7B, 10B, 13a-hexahydroxytax-11-en-9-one 4-acetate 2-benzoate, trihydrate 861.94 C43 H59 N O17 0.001 Injection concentrate docetaxel Taxotere Antineoplastic agent 0 0           94 1.6     Antineoplastic agent
CD:00013 (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-z-L-lyxo-hexopyranosyl)-oxy)-8-glycolyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5, 12-naphthacenedione hydrochloride [25316-40-9] 579.99 C27 H30 Cl N O11   Injection doxorubicin hydrochloride, ADR, chloridrato de doxorrubicina Rubex (foreign name), Adriamycin PFS, Adriamycin RDF Cytotoxic anthracycline antibiotic 0 0       100 12 - 18.5         Cytotoxic anthracycline antibiotic
CD:00014 N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine 429.9 C22 H24 Cl N3 O4   Tablets erlotinib, erlotinib hydrochloride Tarceva Human Epidermal Growth Factor Receptor Type 1/Epidermal Growth Factor Receptor (HER1/EGFR) tyrosine kinase inhibitor 0 0         36.2         Human Epidermal Growth Factor Receptor Type 1/Epidermal Growth Factor Receptor (HER1/EGFR) tyrosine kinase inhibitor
CD:00015 4'-demethylepipodophyllotoxin 9-[4,6-0-(R)-ethylidene-B-D-glucopyranoside] 588.57 C29 H32 O13 0.001 Injection etoposide, Demethyl Epipodophyllotoxin Ethylidine Glucoside, epipodophyllotoxin, VP-16 Toposar, VePesid Semisynthetic derivative of podophyllotoxin 0 0       100   97       Semisynthetic derivative of podophyllotoxin
CD:00016 5-fluoro-2,4 (1H,3H)-pyrimidinedione 130.08 C4 H3 F N2 O2 0.001 Injection fluorouracil, 5-fluorouracil, 5-Fluracil, Fluoro Uracil, Fluouracil, FU Adrucil, Efudex, Fluoroplex Antineoplastic antimetabolite 0 0       100           Antineoplastic antimetabolite
CD:00018 acetic acid;N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(carbamoylamino)carbamoyl]pyrolidin-1-y]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropane-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl}amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide. 1329.48 C61 H88 N18 O16 1000 injection goserelin, goserelin acetate Zoladex Potent inhibitor of pituitary gonadotropin secretion 1 0         4.2 - 12.1 27.3       Potent inhibitor of pituitary gonadotropin secretion
CD:00019 pregn-4-ene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, monosodium salt, (11B) 484.52 C25 H33 Na O8 1000 Injection hydrocortisone sodium succinate, hydrocortisone sodium phosphate, Hydrocortisone, cortisone Solu-Cortef, Ala-Cort, Hydrocortone phosphate, Hydrocort Acetate, Lanacort, Cortef Anti-inflammatory adrenocortical steroid 0 0                   Anti-inflammatory adrenocortical steroid
CD:00020 hydroxyurea 76.05 C H4 N2 O2   Capsules hydroxyurea, HYD, Hydroxycarbamide, Hydurea Droxia, Hydrea   0 0         3 - 4     100    
CD:00021 (S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxol H-pyrano[3',4':6,7]-indolizino[1,2-b]quinolin-9-yl-[1,4'bipiperidine]-1'-carboxylate, monohydrochloride, trihydrate 677.19 C33 H45 Cl N4 O9 0.01 Injection irinotecan hydrochloride, camptothecin-11, irinotecan, irinotecan HCl Camptosar Antineoplastic agent of the topoisomerase I inhibitor class 0 0       100 5.8 - 11.7 30 - 68 1.5 - 3.3     Antineoplastic agent of the topoisomerase I inhibitor class
CD:00022 13-cis-retinoic acid 300.44 C20 H28 O2   Capsule, liquid filled isotretinoin, 13-cis-retinoic acid, 13-cis-vitamin A acid, cis-retinoic acid, isotretinoinum, neovitamin A, Neovitamin A Acid Accutane, Amnesteem, Cistane, Claravis, Sotret Retinoid which inhibits sebaceous gland function and keratinization 0 1                   Retinoid which inhibits sebaceous gland function and keratinization
CD:00023 N-(3-chloro-4-{[(3-fluorophenyl)methyl]pxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine bis(4-methylbenzenesulfonate) monohydrate 943.47 C43 H44 Cl F N4 O11 S3 0.007 Tablets lapatinib, lapatinib ditosylate Tykerb Kinase inhibitor 0 0         90 99.9       Kinase inhibitor
CD:00024 3-(4-amino-1-oxo 1,3-dihydro-2H-isoindol-2-yl) piperidine-2,6-dione 259.26 C13 H13 N3 O3   Capsules lenalidomide, IMiD-1 Revlimid Immunomodulatory agent with anti-angiogenic and anti-neoplastic properties 0 0                   Immunomodulatory agent with anti-angiogenic and anti-neoplastic properties
CD:00025 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 285.31 C17 H11 N5 1000 Tablets letrozole Femara Nonsteroidal aromatase inhibitor 0 0         2   1.9     Nonsteroidal aromatase inhibitor
CD:00026 N-[p-[[[(6RS)-2- amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl]methyl]amino]benzoyl]-L-glutamate (1:1) 511.51 C20 H21 Ca N7 O7   Injection leucovorin calcium, calcium (6S)-folinate, calcium folinate, CFR, citrovorum factor, folinate calcium, folinic acid, Folinic Acid Calcium Salt Pentahydrate, Leucovorin, LV Wellcovorin Chemically reduced derivative of folic acid 0 0       97 6.2 15       Chemically reduced derivative of folic acid
CD:00027 5-oxo-l-prolyl-l-histidyl-l-tryptrophyl-l-tyrosyl-D-leucyl-l-arginyl-N-ethyl-l-prolinamide acetate   C59 H84 N16 O12   Depot Suspension leuprolide acetate, Leuprorelin, Leuprorelin Acetate Lupron, Lupron Depot, Lupron Depot-3 Month, Lupron Depot-4 Month, Lupron Depot-Ped, Viadur Potent inhibitor of gonadotropin secretion 0 1   1     3   0.38     Potent inhibitor of gonadotropin secretion
CD:00028 1-(2-chloro-ethyl)-3-cyclohexyl-1-nitrosourea 233.7 C9 H16 Cl N3 O2 0.001 Capsules lomustine, Lomustinum CeeNU Nitrosourea 0 0         1.6 50   100   Nitrosourea
CD:00029 2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride 192.52 C5 H12 Cl3 N   Injection mechlorethamine HCl, chloramin, chlorethamine HCl, chlorethamine hydrochloride, chlorethazine, chlorethazine hydrochloride, chlormethine, chlormethine hydrochloride, chloromethine HCl, mechlorethamine, mechlorethamine HCl, methylchlorethamine, Mustard, mustargen HCl, mustargen hydrochloride, Mustine, NH-2, N-Lost Mustargen Antineoplastic nitrogen mustard 1 1         1         Antineoplastic nitrogen mustard
CD:00030 17 a-acetyloxy-6-methylpregna-4,6-diene-3,20-dione 384.52 C24 H32 O4 0.002 Tablets megestrol acetate Megace, Ovaban, Pallace Antineoplastic and progestational drug 0 0                   Antineoplastic and progestational drug
CD:00031 4-[bis(2-chloroethyl)amino]-L-phenylalanine 305.2 C13 H18 Cl2 N2 O2 0.001 Injection melphalan hydrochloride, alanine nitrogen mustard, L-phenylalanine mustard, L-Sarcolysin, L-sarcolysin phenylalanine mustard, L-sarcolysine, phenylalanine mustard, phenylalanine nitrogen mustard Alkeran Bifunctional alkylating agent 0 0     2.5 100   60 - 90 0.5     Bifunctional alkylating agent
CD:00032 1,7-dihydro-6H-purine-6-thione monohydrate 170.19 C5 H6 N4 O S   Tablets mercaptopurine, 6 Thiohypoxanthine, 6 Thiopurine, 6-mercaptopurine, 6-Mercaptopurine Monohydrate, 6-Purinethiol, 6-Thiopurine, 6-Thioxopurine, Azathiopurine, Leupurin, Mercapurin, Mern, Purimethol Purinethol, Mercaptopurinum Analogue of the purine bases adenine and hypoxanthine 0 0       5 - 37 1 - 2 19       Analogue of the purine bases adenine and hypoxanthine
CD:00033 N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid 454.45 C20 H22 N8 O5   Tablets methotrexate, alpha-methopterin, amethopterin, Methotrexatum, methylaminopterin, Metotrexato, methotrexate sodium Rheumatrex, Abitrexate, Folex, Folex PFS, Methotrexate LPF, Mexate, Mexate-AQ Antimetabolite which inhibits dihydrofolic acid reductase 0 0       60 0.7 - 5.8         Antimetabolite which inhibits dihydrofolic acid reductase
CD:00034 9-methoxy-7H-furo[3,2-g][1]-benzopyran-7-one 216.19 C12 H8 O4     methoxsalen, 8-methoxypsoralen, Methoxypsoralen Ammoidin, Oxsoralen, Oxsoralen-Ultra, Uvadex, Xanthotoxin   0 0                    
CD:00035 pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-,(6a,11B) 416.51 C24 H32 O6 0.001 Injectable Suspension methylprednisolone acetate Duralone   0 0                    
CD:00037 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-azirino[2',3':4]pyrrolo[1,2-a]indole-47-dione carbamate(ester). 334.33 C15 H18 N4 O5   Injection mitomycin, mitomycin C, mitomycine C, mitomycin-X Mitozytrex, Mutamycin Selective inhibitor of DNA synthesis 0 0       100 0.7         Selective inhibitor of DNA synthesis
CD:00038 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl) ethane 320.05 C14 H10 Cl4   Tablets mitotane, Chloditan, Chlodithane, Khloditan, Mytotan, o,p'-DDD, Ortho,para-DDD Lysodren Adrenal cytotoxic agent 0 0                   Adrenal cytotoxic agent
CD:00039 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl) amino]ethyl]amino-9,10-anthracenedione dihydrochloride 517.41 C22 H30 Cl2 N4 O6   Injection Concentrate mitoxantrone, dihydroxyanthracenedione, dihydroxyanthracenedione dihydrochloride, mitoxantrone dihydrochloride, mitoxantrone HCl, mitozantrone hydrochloride Novantrone Synthetic antineoplastic anthracenedione 0 0       100 75 78 14     Synthetic antineoplastic anthracenedione
CD:00040 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-imidazolidinedione 317.22 C12 H10 F3 N3 O4 0.01 Tablets nilutamide Nilandron Nonsteroidal, orally active antiandrogen 0 0         38 - 59.1 50       Nonsteroidal, orally active antiandrogen
CD:00041 L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2->7)-disulfide; [R-(R*,R*)] acetate salt 1019.24 C49 H66 N10 O10 S2   Injection, solution octreotide acetate, Longastatin Sandostatin, Sandostatin Lar Depot   0 0         1.7 - 1.9 65 0.2      
CD:00042 5B,20-Epoxy-1,2a,4,7B,10B,13a-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine 853.92 C47 H51 N O14 0 Injection paclitaxel Taxol Novel antimicrotubule agent 0 0       100   89 - 98 3.2 - 9.8     Novel antimicrotubule agent
CD:00044 (R)-3-(2-deoxy- -D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[ 268.27 C11 H16 N4 O4   Injection pentostatin, 2'-deoxycoformycin, co-vidarabine, deoxycoformycin, pentostatine Nipent Potent inhibitor of the enzyme adenosine deaminase 0 0         0.18 4       Potent inhibitor of the enzyme adenosine deaminase
CD:00045 l,1'-[1,4-phenylenebis (methylene)]-bis-1,4,8,11-tetraazacyclotetradecane 502.79 C28 H54 N8   Injection plerixafor Mozobil Hematopoietic stem cell mobilizer 0 0         3 - 5 58 0.3     Hematopoietic stem cell mobilizer
CD:00046 pregna-1, 4-diene-3,20-dione, 11, 17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11B)- 484.39 C21 H27 Na2 O8 P 1000 Tablets, orally disintegrating prednisolone sodium phosphate prednisolone sodium phosphate Synthetic adrenocortical steroid drug 0 0           70 - 90       Synthetic adrenocortical steroid drug
CD:00047 N-isopropyl-a-(2-methylhydrazin0)-p-toluamide monohydrochloride 257.76 C12 H20 Cl N3 O 1000 Capsules procarbazine hydrochloride, Ibenzmethyzin, ibenzmethyzin hydrochloride, ibenzmethyzine hydrochloride, MIH, MIH hydrochloride, PCB Hydrochloride, PCZ, Procarbazin Matulane Hydrazine derivative antineoplastic agent 0 0         0.16         Hydrazine derivative antineoplastic agent
CD:00049 N-(5-[N-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino]-2-thenoyl)-L-glutamic acid 458.49 C21 H22 N4 O6 S   Injection raltitrexed, raltitrexed disodium Tomudex Quinazoline folate analogue that selectively inhibits thymidylate synthase (TS) 0 0       100 0.25 - 0.5 80       Quinazoline folate analogue that selectively inhibits thymidylate synthase (TS)
CD:00050 4-(4-{3-[4-Chloro-3-(trifluoromehtyl)phenyl]ureido}phenoxy)N2-methylpyridine-2-carboxamide 4-methylbenzenesulfonate 637.03 C28 H24 Cl F3 N4 O6 S 0.001   sorafenib tosylate, BAY 43-9006, BAY 43-9006 Tosylate Salt Nexavar Kinase inhibitor 0 1       38 - 49 25 - 48 99.5       Kinase inhibitor
CD:00051 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-a(and B)-D-glucopyranose 265.22 C8 H15 N3 O7 1000 Sterile Powder streptozocin, streptozotocin Zanosar Synthetic antineoplastic agent 0 0       100           Synthetic antineoplastic agent
CD:00052 Butanedioic acid, hydroxy-, (2S)-, compoound with N-[2-(diethylamino)ethyl]-5-[(Z)-(fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidine)methyl]-2,4-dimethyl-1H-pyrrole-3carboxamide (1:1) 532.57 C26 H33 F N4 O7 25 Capsules sunitinib malate, sunitinib Sutent Multi-kinase inhibitor 0 0             31.8     Multi-kinase inhibitor
CD:00053 (Z)2-[4-(1,2-diphenyl-1-buenyl) phenoxy]-N,N-dimethylethanamine 2-hydroxy-1,2,3- propanetricarboxylate (1:1) 563.65 C32 H37 N O8 0.5 Tablets tamoxifen citrate, Novaldex, tamoxifen, Tamoxifeni Citras Nolvadex Nonsteroidal antiestrogen 0 0                   Nonsteroidal antiestrogen
CD:00054 3,4-dihydro-3-methyl-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide 194.15 C6 H6 N6 O2   Capsules temozolomide Temodar, Methazolastone Imidazotetrazine derivative 0 0         1.8 15 1.4     Imidazotetrazine derivative
CD:00055 (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)- 1030.3 C56 H87 N O16 0.001 Injection temsirolimus, cell cycle inhibitor 779, rapamycin analog CCI-779 Torisel Antineoplastic agent 0 0       100     2.4     Antineoplastic agent
CD:00056 4-demethylepipodophyllotoxin 9-[4,6-0-(R)-2-thenylidene-B-D-glucopyranoside 656.66 C32 H32 O13 S 0 Injection teniposide, Thenvlidene-Lignan-P, Thenylidene-Lignan-P, VM26 Vumon   1 1       100 5 99        
CD:00057 (RS)-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione. 258.23 C13 H10 N2 O4 0.001 Capsules thalidomide, alpha-phthalimidoglutarimide, N-phthaloylglutamimide, N-phthalylglutamic acid imide Thalomid, Synovir   0 1         5 - 7 55 - 66        
CD:00058 2-amino-1,7-dihydro-6H-purine-6-thione       Tablets thioguanine Tabloid, Tabloid brand thioguanine, Tioguanine   0 0       14 - 46 0.4 - 4          
CD:00059 Tris(1-aziridinyl)phosphine sulfide 189.22 C6 H12 N3 P S   Injection thiotepa, thiophosphamide, thiophosphoramide, triethylene thiophosphoramide, TSPA Thioplex, Girostan, STEPA, TESPA, Thiofozil, Tifosyl Cytotoxic agent of the polyfunctional type 0 0                   Cytotoxic agent of the polyfunctional type
CD:00060 (S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7] indolizino [1,2-b]quinoline-3,14-(4H,12H)-dione monohydrochloride 457.91 C23 H24 Cl N3 O5 1000 Injection topotecan hydrochloride, hycamptamine Hycamtin Anti-tumor drug with topoisomerase I-inhibitory activity 0 1       100 2 - 3 35       Anti-tumor drug with topoisomerase I-inhibitory activity
CD:00061 2-{p-[(Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy}-N,N-dimethylethylamine citrate (1:1) 598.09 C32 H36 Cl N O8 0.63 Tablets toremifene, toremifene citrate Fareston Nonsteroidal antiestrogen 0 1     8             Nonsteroidal antiestrogen
CD:00062 (2E,4E,6E8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid 300.44 C20 H28 O2   Capsules tretinoin, all-trans retinoic acid, all-trans vitamin A acid, beta-retinoic acid, retinoic acid, TRA, trans retinoic acid, trans vitamin A acid, tretinoinum, Vitamin A Acid Vesanoid, Aberel, Aknoten, Avita, Renova, Retin-A, Retin-A MICRO   1 0           95        
CD:00063 (2S-cis)-2-[1,2,3,4, 6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-a-L-lyxo-hexopyranosyl]oxyl]-2-naphthacenyl]-2-oxoethyl pentanoate 723.65 C34 H36 F3 N O13 0.001   valrubicin Valstar   0 0       0 0.4 - 0.5 99        
CD:00064 dimethyl(2B,3B,4B,5a,12B,19a)-15-[(5s,9s)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7,didehydroaspidosprmidine-3,4-dicarboxylate. 909.06 C46 H60 N4 O13 S 1000 Injection vinblastine sulfate, Vincaleucoblastine, vinblastine Velban, Velsar Stathmokinetic oncolytic agent 0 0       100 2.4 90       Stathmokinetic oncolytic agent
CD:00065 methyl(1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate. 923.04 C46 H58 N4 O14 S 1000 Injection vincristine sulfate, leurocristine sulfate Vincasar PFS Mitotic inhibitor 1 0       100 19 - 155         Mitotic inhibitor
CD:00066 methyl(5S,7S,9S)-9-[(2B,3B,5a,12B,19a)-3-(aminocarbonyl)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate. 852.01 C43 H57 N5 O11 S   Injection vindesine, Compound 112531, deacetyl vinblastine carboxamide, desacetylvinblastine amide Eldisine Mitotic Inhibitor 0 0       100   65 - 75 8.11 24   Mitotic Inhibitor
CD:00067 3',4'-didehydro-4'-deoxy-C'-norvincaleukoblastine [R-(R*,R*)-2,3-dihydroxybutanedioate (1:2)(salt)] 1079.12 C53 H66 N4 O20 1000 Injection vinorelbine tartrate, navelbine ditartrate, vinorelbine ditartrate Navelbine Semi-synthetic vinca alkaloid with antitumor activity 0 0       100 27.7 - 43.6   25.4 - 40.1     Semi-synthetic vinca alkaloid with antitumor activity
CD:00068 N-hydroxy-N'-phenyloctanediamide 264.32 C14 H20 N2 O3 0.001 Capsules vorinostat, suberoylanilide hydroxamic acid Zolinza Histone deacetylase (HDAC) inhibitor 0 0         2 71       Histone deacetylase (HDAC) inhibitor
CD:00069 (1-Hydroxy-2-imidazol-1-yl-phosphonoethyl) phosphonic acid monohydrate 290.11 C5 H12 N2 O8 P2 1 Injection zoledronic acid, NDC-zoledronate, zoledronate Zometa Inhibitor of osteoclastic bone resorption 1 0         146 22       Inhibitor of osteoclastic bone resorption
CD:00071 40-O-(2-hydroxyethyl)-rapamycin 958.24 C53 H83 N O14   Tablets everolimus Afinitor Kinase Inhibitor; inhibits mTOR 0 0       17 - 73 30 74   80   Kinase Inhibitor; inhibits mTOR
CD:00072 6,7-dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one monohydrochloride monohydrate. 310.57 C10 H10 Cl3 N3 O2 0.01 Capsules anagrelide HCl Agrylin Platelet reducing agent 0 0         1.3     70   Platelet reducing agent
CD:00074 1,3-Benzenediacetonitrile,a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl) 293.37 C17 H19 N5 0.5 Tablets anastrazole Arimidex Aromataze inhibitor 0 1         50 40   83 - 85   Aromataze inhibitor
CD:00075 6-methylenandrosta-1,4-diene-3,17-dione. 296.41 C20 H24 O2 0 Tablets exemestane Aromasin Aromataze inhibitor 0 0         24 90   42   Aromataze inhibitor
CD:00076 2-amino--9-B-Darabinofuranoslyl-6-methoxy-9H-purine. 297.27 C11 H15 N5 O5 0.01 Injection melarabine Arranon DNA synthesis inhibitor 0 0         0.5 25 0 - 216     DNA synthesis inhibitor
CD:00077 propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-,(+-). 430.37 C18 H14 F4 N2 O4 S 0 Tablets bicalutamide Casodex Nonsteroidal antiandrogen 0 0 0       5.8 96       Nonsteroidal antiandrogen
CD:00078 2-amino-4,6-dimethyl-3-oxo-N,N"-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide. 1255.44 C62 H86 N12 O16   Injection dactinomycin Cosmegen RNA synthesis inhibitor 1 1   1     36         RNA synthesis inhibitor
CD:00079 2-[bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine2-oxide monohydrate. 261.09 C7 H15 Cl2 N2 O2 P 1000   cyclophosphamide Cytoxan Crosslinkage of DNA 0 1       75 3 - 12         Crosslinkage of DNA
CD:00080 4-amino-1(2-deoxy-B-D-erythro-pentofuranosyl)-1,3,5-trizan-2(1H)-one. 228.21 C8 H12 N4 O4 0.001   decitabine Dacogen Inhibitor of DNA methyltransferase 0 0         0.51 1       Inhibitor of DNA methyltransferase
CD:00081 4-amino-1-B-D-arabinofuranosyl-2(1H)-pyrimidinone. 243.22 C9 H13 N3 O5     cytarabine Depocyt Inhibits DNA polymerase 1 0         5.9 - 82.4         Inhibits DNA polymerase
CD:00082 methanone,[6-hydroxy-2(4-hydroxyphenyl)bezo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]-,hydrochloride. 510.05 C28 H28 Cl N O4 S 0.001   raloxifene Evista Selective ER modulator 0 0       2 27.7 95 2348 60   Selective ER modulator
CD:00083 7-alpha-[9-(4,4,5,5,5-penta fluoropentylsulphinyl) nonyl]estra-1,3,5-(10)-triene-3,17-beta-diol. 606.78 C32 H47 F5 O3 S     fulvestrant Faslodex Estrogen receptor antagonist 0 0         40 99 0.04 - 0.07     Estrogen receptor antagonist
CD:00084 9H-Purin-6-amine,2-fluoro-9-(5-0-phosphono-B-D-arabino-furanosyl)(2-fluoro-ara-AMP). 365.21 C10 H13 F N5 O7 P 0.01 Injection fludrabine Fludara DNA synthesis inhibitor 0 0         20 19 - 29       DNA synthesis inhibitor
CD:00085 2'-deoxy-2',2'-difluorocytidine monohydrochloride(B-isomer). 263.2 C9 H11 F2 N3 O4 1000   gemcitabine Gemzar DNA synthesis inhibitor 0 0         42 - 638 0 0.7 - 5.2     DNA synthesis inhibitor
CD:00086 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide methane-sulfonate. 589.71 C30 H35 N7 O4 S 0.01   imatinib mesylate Gleevec Kinase inhibitor 1 1   1   98 18 95       Kinase inhibitor
CD:00087 N,N,N',N',N",N" -hexamethyl-1,3,5-triazine-2,4,6-triamine 210.28 C9 H18 N6     altretamine Hexalen Synthetic cytotoxic agent 0 0         4.7 - 10.2 0 - 50   90   Synthetic cytotoxic agent
CD:00088 (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxane-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione. 533.96 C26 H28 Cl N O9     idarubicin HCl Idamycin Nucleic acid synthesis inhibitor via Topoisomerase II 0 0         22 97       Nucleic acid synthesis inhibitor via Topoisomerase II
CD:00089 (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-17-oxa-4-azabicyclo[14.10] heptadecane-5,9-dione. 506.7 C27 H42 N2 O5 S     ixabepilone Ixempra Microtubule inhibitor 0 0 20       52 67 - 77 14.3     Microtubule inhibitor
CD:00090 acetyl-D-B-naphthylalanyl-D-4-chlorophenylalanyl-D-3-pyridylalanyl-L-seryl-L-N-methyl-tyrosyl-D-asparagyl-L-leucyl-L-N(e)-isopropyl-lysyl-L-prolyl-D-alanyl-amide. 1416.08 C72 H95 Cl N14 O14     abarelix Plenaxis GnRh inhibitor 0 0         10 - 16.4 96 - 99 38.4 - 80.6     GnRh inhibitor
CD:00091 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic 348.48 C24 H28 O2 0   bexarotene Targretin Retinoic acid receptor inhibitor 0 0         7 99   2 N.A. Retinoic acid receptor inhibitor

Supporting Material

This project was supported by DE-NIH NCRR INBRE grant number 2 P20 RR016472-10 through the University of Delaware and a NASA Grant NNG05GO92H through the Delaware Space Grant College and Fellowship Program.

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