CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00012936" 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.

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CFAM Mol ID CFAMM00012936
Family CFFAD65 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide family
Superfamily CFSAD64 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide Superfamily
Class CFCAD64 Class 64
External ID CHEMBL11101 External Source CHEMBL
PubChem CID 44267278 Functional Category Bioactive
Molecule Name AGN-PC-0745FD
IUPAC Name 5-[4-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylamino]butyl]pyridin-2-amine
Synonyms CHEBI:108818;5-[4-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylamino]butyl]pyridin-2-amine
InChi InChI=1S/C27H32N4/c1-19-15-20(2)17-22(16-19)27-24(23-8-3-4-9-25(23)31-27)12-14-29-13-6-5-7-21-10-11-26(28)30-18-21/h3-4,8-11,15-18,29,31H,5-7,12-14H2,1-2H3,(H2,28,30)
InChiKey ZTLKUZYVVJAIRP-UHFFFAOYSA-N
Formula C27H32N4 Molecular Weight 412.57
Cross Link CHEMBL11101
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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