CFam Chemical Families Database
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You are searching for "CFAMM00450118" in compound.

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CFAM Mol ID CFAMM00450118
Family CFFBM18974 RAC-alpha serine/threonine-protein kinase and RAC-beta serine/threonine-protein kinase inhibitor (2S)-1-(1H-indol-3-yl)-3-[6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-3-yl]oxypropan-2-amine family
Superfamily CFSBM4897 RAC-alpha serine/threonine-protein kinase and Aurora kinase B Binder Superfamily
Class CFCCD257 Class 1070
External ID CHEMBL605410 External Source CHEMBL
PubChem CID 46226137 Functional Category Bioactive
Molecule Name 3-[(2S)-2-amino-3-[2-amino-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-3-yl]oxypropyl]-1H-indole-2-carbonitrile
IUPAC Name 3-[(2S)-2-amino-3-[2-amino-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-3-yl]oxypropyl]-1H-indole-2-carbonitrile
Synonyms CHEBI:692622
InChi InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1
InChiKey AGYJPEBXFSGBHP-INIZCTEOSA-N
Formula C28H25N9O2 Molecular Weight 519.56
Cross Link CHEMBL605410
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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