Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0O5WP
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| Former ID |
DAP000590
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| Drug Name |
Docetaxel
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| Synonyms |
EmDOC; TXL; Taxotere; Docetaxel anhydrous; ANX-514; Docetaxel (INN); Docetaxel, Trihydrate; RP-56976; SDP-014; Taxotere (TN); Taxotere(R); XRP-6976L; Docetaxel 114977-28-5; N-debenzoyl-N-Boc-10-deacetyl taxol; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol; (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Approved | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
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| Company |
Sanofi-Aventis
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| Structure |
 |
Download2D MOL |
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| Formula |
C43H53NO14
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| Canonical SMILES |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
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| InChI |
1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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| InChIKey |
ZDZOTLJHXYCWBA-VCVYQWHSSA-N
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| CAS Number |
CAS 114977-28-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
13410, 494081, 822539, 833094, 7890914, 7979114, 10249812, 12014196, 14791415, 14815974, 17424977, 24845209, 26683886, 46225079, 46506766, 53790583, 56310805, 56310954, 56311107, 56311313, 56311574, 56312625, 56312880, 56312940, 56312941, 56313207, 56313989, 56314033, 56314070, 56314178, 56314280, 57346703, 78743198, 81044598, 87678200, 92308884, 92711403, 96024562, 99319097, 103172104, 104418276, 117664410, 117682515, 124950708, 126606827, 126630894, 126657365, 134337881, 136340291, 136375539
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| ChEBI ID |
CHEBI:4672
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| ADReCS Drug ID | BADD_D00699 | |||
| SuperDrug ATC ID |
L01CD02
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| SuperDrug CAS ID |
cas=114977285
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Tubulin (TUB) | Target Info | Inhibitor | [3] |
| 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: 6809). | |||
| REF 2 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 3 | Docetaxel: a review of its use in metastatic breast cancer. Drugs. 2005;65(17):2513-31. | |||
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