CFam Chemical Families Database
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You are searching for "CFAMM00410627" in compound.

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CFAM Mol ID CFAMM00410627
Family CFFBM11608 Inhibitor of nuclear factor kappa-B kinase subunit beta and Inhibitor of nuclear factor kappa-B kinase subunit alpha inhibitor 4-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1,1-dioxothian-4-yl)benzenesulfonamide family
Superfamily CFSCD513 Serine/threonine-protein kinase B-raf Inhibitor GSK2118436 Superfamily
Class CFCCD361 Class 1174
External ID CHEMBL2164422 External Source CHEMBL
PubChem CID 24985115 Functional Category Bioactive
Molecule Name 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)benzenesulfonamide
IUPAC Name 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)benzenesulfonamide
Synonyms SureCN3411851;AGN-PC-04V7S7;4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxyethyl)benzenesulfonamide
InChi InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21)
InChiKey XMLJHUDPEAJQOK-UHFFFAOYSA-N
Formula C18H19N3O3S Molecular Weight 357.43
Cross Link CHEMBL2164422
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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