CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00334372" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00334372
Family CFFBM2449 Cytochrome P450 3A4 and Beta-secretase 1 inhibitor N-[(2S,3R)-4-[[1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM1347 Beta-secretase 1 and Cathepsin D Binder Superfamily 2
Class CFCBM500 Class 3550
External ID CHEMBL571432 External Source CHEMBL
PubChem CID 45486983 Functional Category Bioactive
Molecule Name methyl N-[(2S,5R)-5-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-5-(3-tert-butylphenyl)piperidin-2-yl]carbamate
IUPAC Name methyl N-[(2S,5R)-5-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-5-(3-tert-butylphenyl)piperidin-2-yl]carbamate
Synonyms CHEBI:681103
InChi InChI=1S/C29H40F2N4O4/c1-18(36)34-24(13-19-11-22(30)15-23(31)12-19)25(37)16-33-29(10-9-26(32-17-29)35-27(38)39-5)21-8-6-7-20(14-21)28(2,3)4/h6-8,11-12,14-15,24-26,32-33,37H,9-10,13,16-17H2,1-5H3,(H,34,36)(H,35,38)/t24-,25+,26-,29-/m0/s1
InChiKey HKHJJBDBPGVVKN-BVXNIFABSA-N
Formula C29H40F2N4O4 Molecular Weight 546.65
Cross Link CHEMBL571432
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
 

 

27523 visits since 2014 .........

 



Dr. Chen Yuzong

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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00334372'),None, txtsearch, CFAMM00334372|