Drug Information

Drug General Information
Drug ID
D0GO7W
Former ID
DIB013932
Drug Name
21-AMINOEPOTHILONE B
Synonyms
BMS-310705; (4S,7R,8S,9S,13R,14S,16S)-13,14-Epoxy-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2(E)-[2-(aminomethyl)thiazol-4-yl]vinyl]-1-oxacyclohexadecane-2,6-dione
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Terminated [547539]
Structure
Download
2D MOL

3D MOL
Formula
C27H42N2O6S
Canonical SMILES
CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=<br />CSC(=N3)CN)C)C
InChI
1S/C27H42N2O6S/c1-15-8-7-9-27(6)21(35-27)11-19(16(2)10-18-14-36-22(13-28)29-18)34-23(31)12-20(30)26(4,5)25(33)17(3)24(15)32/h10,14-15,17,19-21,24,30,32H,7-9,11-13,28H2,1-6H3/b16-10+/t15-,17+,19-,20-,21-,24-,27+/m0/s1
InChIKey
PFJFPBDHCFMQPN-RGJAOAFDSA-N
PubChem Compound ID
9828138
PubChem Substance ID
14787344, 14836447, 24130036, 44926267, 56310596, 77214177, 126623102, 135262071, 142438217, 198944948, 223666764, 226746423, 245830965
Target and Pathway
Target(s) Tubulin Target Info Inhibitor [544107], [551871]
References
Ref 547539Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800017146)
Ref 544107Tubulin-Interactive Natural Products as Anticancer Agents. Correction in: J Nat Prod. 2011 May 27; 74(5): 1352.
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.