CFam Chemical Families Database
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You are searching for "CFAMM00025376" in compound.

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CFAM Mol ID CFAMM00025376
Family CFFAD147 HIV protease Inhibitor Amprenavir Family
Superfamily CFSAD138 HIV protease Inhibitor Amprenavir Superfamily
Class CFCAD136 Class 136
External ID DAP001086 External Source TTD
PubChem CID 213039 Functional Category Approved Drug
Molecule Name Darunavir
IUPAC Name [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms Prezista;TMC-114;TMC114;Darunavirum;UIC-94017;TMC 114;206361-99-1;Darunavirum [INN-Latin];2idw;2ien
InChi InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
InChiKey CJBJHOAVZSMMDJ-HEXNFIEUSA-N
Formula C27H37N3O7S Molecular Weight 547.66
Cross Link CHEMBL1323 DB01264
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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