CFam Chemical Families Database
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You are searching for "CFAMM00436284" in compound.

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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 CFAMM00436284
Family CFFBM15895 Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ligand AGN-PC-00EZYH family
Superfamily CFSBM895 Alpha-1D adrenergic receptor and Alpha-1B adrenergic receptor Binder Superfamily
Class CFCID896 Class 2246
External ID CHEMBL523965 External Source CHEMBL
PubChem CID 44579537 Functional Category Bioactive
Molecule Name AGN-PC-077LQV
IUPAC Name 6-indol-1-yl-2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
Synonyms CHEBI:591712;6-indol-1-yl-2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
InChi InChI=1S/C29H35N5O2/c1-23(2)36-27-12-6-5-11-26(27)32-21-19-31(20-22-32)16-7-8-17-34-29(35)14-13-28(30-34)33-18-15-24-9-3-4-10-25(24)33/h3-6,9-15,18,23H,7-8,16-17,19-22H2,1-2H3
InChiKey YYNRMEFVRGJRRZ-UHFFFAOYSA-N
Formula C29H35N5O2 Molecular Weight 485.62
Cross Link CHEMBL523965
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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