CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00011521" 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 CFAMM00011521
Family CFFAD60 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan family
Superfamily CFSAD59 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan Superfamily
Class CFCAD59 Class 59
External ID CHEMBL1097176 External Source CHEMBL
PubChem CID 46236909 Functional Category Bioactive
Molecule Name AGN-PC-07RE3R
IUPAC Name 2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
Synonyms CHEBI:728479;2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
InChi InChI=1S/C23H23N3O2S/c1-3-12-26(13-4-2)23(28)22(27)20-18-14-17(24-15-29)10-11-19(18)25-21(20)16-8-6-5-7-9-16/h5-11,14,25H,3-4,12-13H2,1-2H3
Formula C23H23N3O2S Molecular Weight 405.51
Cross Link CHEMBL1097176

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



113919 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', 'CFAMM00011521'),None, txtsearch, CFAMM00011521|