CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFBM831
Family Name Substance-P receptor ligand (1S,2R,5aS,7R,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-ethyl-1-(4-fluorophenyl)-7-hydroxy-1,2,3,5a,6,8,8a,8b-octahydrocyclopenta[a]pyrrolizin-5-one family
No. of Seeds 11 No. of Other Members 15
Family Centroid CFAMM00316375 Functional Category Bioactive
Superfamily Substance-P receptor and Substance-K receptor Binder Superfamily
Class Class 3228

Cousin Family NamesSeedsMembers
Substance-P receptor ligand tert-butyl (2S,3R,4S)-3-[(1R)-1-[3... 13 1
Substance-P receptor ligand (1S,2R)-2-[(1R)-1-[3,5-bis(trifluo... 2 0
Substance-P receptor ligand (1S,2R,5aS,7S,8aR,8bS)-7-amino-2-[... 12 2
Prostaglandin E2 receptor EP4 subtype and Prostaglandin E2 rec... 4 41
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 11
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 4 6
Substance-P receptor ligand 1-[(3S,4R)-3-[(1R)-1-[3,5-bis(trif... 9 0
Beta-secretase 1 and Cathepsin E inhibitor 1-N-[(1R,2S)-3-(3,5... 3 8


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00316369 CHEMBL272649 Bioactive (6R,7S,8S)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CFAMM00316383 CHEMBL1257357 Bioactive (1S,2R,5aS,7S,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-hydroxy-2,3,5a,6,7,8,8a,8b-octahydro-1H-cyclopenta[a]pyrrolizin-5-one
CFAMM00316376 CHEMBL1256592 Bioactive (1S,2R,5aS,7S,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-ethyl-1-(4-fluorophenyl)-7-hydroxy-1,2,3,5a,6,8,8a,8b-octahydrocyclopenta[a]pyrrolizin-5-one
CFAMM00316363 CHEMBL1090421 Bioactive (6R,7S,8R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CFAMM00316375 CHEMBL1256591 Bioactive (1S,2R,5aS,7R,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-ethyl-1-(4-fluorophenyl)-7-hydroxy-1,2,3,5a,6,8,8a,8b-octahydrocyclopenta[a]pyrrolizin-5-one
CFAMM00316380 CHEMBL1257706 Bioactive (1S,2R,5aS,7S,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-hydroxy-7-methyl-1,2,3,5a,6,8,8a,8b-octahydrocyclopenta[a]pyrrolizin-5-one
CFAMM00316373 CHEMBL1099372 Bioactive (6R,7S,8S)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CFAMM00316386 CHEMBL1257466 Bioactive (1S,2R,5aS,7R,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-hydroxy-2,3,5a,6,7,8,8a,8b-octahydro-1H-cyclopenta[a]pyrrolizin-5-one
CFAMM00316378 CHEMBL1257588 Bioactive (1S,2R,5aS,7R,8aR,8bS)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-hydroxy-7-methyl-1,2,3,5a,6,8,8a,8b-octahydrocyclopenta[a]pyrrolizin-5-one
CFAMM00316365 CHEMBL1091469 Bioactive (6R,7S,8S)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CFAMM00316384 CHEMBL1093750 Bioactive (6R,7S,8R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1-hydroxy-1-methyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

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
 

 

46342 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