CFam Chemical Families Database
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You are searching for "CFAMM00388379" in compound.

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CFAM Mol ID CFAMM00388379
Family CFFBM8492 Histamine H3 receptor ligand 2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,3-dihydroisoindole family
Superfamily CFSBM196 Histamine H3 receptor and Corticosteroid 11-beta-dehydrogenase isozyme 1 Binder Superfamily
Class CFCID1256 Class 2606
External ID CHEMBL1818341 External Source CHEMBL
PubChem CID 44599828 Functional Category Bioactive
Molecule Name 2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
IUPAC Name 2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
Synonyms PF 4455242;PF-4455242;AGN-PC-077YMT;SureCN3212512;PF-4455242 free base;UNII-Y3530Z78QD;PF 04455242;PF-04455242;(1,1'-Biphenyl)-4-methanamine, N-(2-methylpropyl)-2'-(1-pyrrolidinylsulfonyl)-;2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
InChi InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
InChiKey OWVIKBRKPCTDEP-UHFFFAOYSA-N
Formula C21H28N2O2S Molecular Weight 372.52
Cross Link CHEMBL1818341
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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