CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00402169" 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 CFAMM00402169
Family CFFBM10442 Beta-secretase 1 and Cathepsin D inhibitor N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM5174 Beta-secretase 1 and Cathepsin D Binder Superfamily 4
Class CFCAD284 Class 284
External ID CHEMBL59706 External Source CHEMBL
PubChem CID 463278 Functional Category Bioactive
Molecule Name 162539-57-3
IUPAC Name tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-[4-(2-pyridin-2-ylethoxy)phenyl]butan-2-yl]carbamate
Synonyms 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-((4-(2-(2-pyridinyl)ethoxy)phenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-;12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-[[4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-;AC1LA7PZ;BMS-186318 analog 8;(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-(2-pyridinyl)ethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester;[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-[2-(2-pyridinyl)ethoxy]phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester;tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-[4-(2-pyridin-2-ylethoxy)phenyl]butan-2-yl]carbamate
InChi InChI=1S/C37H52N4O7/c1-36(2,3)47-34(44)40-30(22-26-12-8-7-9-13-26)32(42)24-38-25-33(43)31(41-35(45)48-37(4,5)6)23-27-15-17-29(18-16-27)46-21-19-28-14-10-11-20-39-28/h7-18,20,30-33,38,42-43H,19,21-25H2,1-6H3,(H,40,44)(H,41,45)/t30-,31-,32+,33+/m0/s1
InChiKey XGSPSWMOULVMMN-UYEZAFAQSA-N
Formula C37H52N4O7 Molecular Weight 664.83
Cross Link CHEMBL59706
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
 

 

27526 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', 'CFAMM00402169'),None, txtsearch, CFAMM00402169|