CFam Chemical Families Database
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You are searching for "CFAMM00416361" in compound.

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CFAM Mol ID CFAMM00416361
Family CFFBM12526 Melanocortin receptor 4 ligand AGN-PC-076AMO family
Superfamily CFSAD86 Vasopressin V1a receptor and Vasopressin V2 receptor Ligand Conivaptan Superfamily
Class CFCAD86 Class 86
External ID CHEMBL379787 External Source CHEMBL
PubChem CID 11983295 Functional Category Bioactive
Molecule Name IRAK-1/4 Inhibitor
IUPAC Name N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide
Synonyms IRAK-1/4 Inhibitor I;SureCN3600534;Interleukin-1 Receptor-Associated-Kinase-1/4 Inhibitor;N-(2-Morpholinylethyl)-2-(3-nitrobenzoylamido)-benzimidazole;509093-47-4;Benzamide, N-[1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]-3-nitro-;IRAK-1-4 Inhibitor I;AGN-PC-00J89M;GTPL5990
InChi InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)
InChiKey QTCFYQHZJIIHBS-UHFFFAOYSA-N
Formula C20H21N5O4 Molecular Weight 395.41
Cross Link CHEMBL379787
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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