Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0I9GR
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| Former ID |
DCL000337
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| Drug Name |
Plevitrexed
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| Synonyms |
ZD 9331; ZD9331; 153537-73-6; Plevitrexed [INN]; ZD-9331; NSC 696259; UNII-L9P2881C3H; CHEMBL126648; (2s)-2-[(2-fluoro-4-{[(4-hydroxy-2,7-dimethylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)amino]-4-(2h-tetrazol-5-yl)butanoic acid; L9P2881C3H; Plevitrexed (INN); 172521-94-7; (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid; 1H-Tetrazole-5-butanoic acid,
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| Drug Type |
Small molecular drug
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| Indication | Gastric adenocarcinoma [ICD-11: 2B72; ICD-9: 151] | Phase 2 | [1], [2] | |
| Company |
BTG
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| Structure |
 |
Download2D MOL |
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| Formula |
C26H25FN8O4
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| Canonical SMILES |
CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C
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| InChI |
1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
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| InChIKey |
IEJSCSAMMLUINT-NRFANRHFSA-N
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| CAS Number |
CAS 153537-73-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
525044, 11438742, 14763215, 14763216, 14934453, 30417265, 50068467, 57399646, 76715527, 78907166, 103066645, 103080055, 103356879, 103981287, 113453116, 117622467, 128155971, 134338945, 134338991, 134340694, 134340698, 135187320, 137542816, 138647661, 162802588, 164232738, 164764471, 180371003, 198971042, 198979701, 224042541, 226538633, 235406768, 252166490
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8278). | |||
| REF 2 | Clinical pipeline report, company report or official report of plevitrexed. | |||
| REF 3 | Cooperative inhibition of human thymidylate synthase by mixtures of active site binding and allosteric inhibitors. Biochemistry. 2007 Mar 13;46(10):2823-30. | |||
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