CFam Chemical Families Database
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You are searching for "CFAMM00390874" 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 CFAMM00390874
Family CFFBM8826 Mu-type opioid receptor ligand AGN-PC-075GAC family
Superfamily CFSBM4655 Mu-type opioid receptor and Mitogen-activated protein kinase 14 Binder Superfamily
Class CFCID1145 Class 2495
External ID CHEMBL186549 External Source CHEMBL
PubChem CID 44395549 Functional Category Bioactive
Molecule Name AGN-PC-075GDD
IUPAC Name 3-[[4-(ethylcarbamoyl)phenyl]-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-5-nitrobenzoic acid
Synonyms CHEBI:410746;3-[[4-(ethylcarbamoyl)phenyl]-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-5-nitrobenzoic acid
InChi InChI=1S/C29H29N3O6/c1-2-30-28(33)20-5-3-19(4-6-20)27(21-11-23(29(34)35)15-26(14-21)32(36)37)22-12-24-7-8-25(13-22)31(24)16-18-9-10-38-17-18/h3-6,9-11,14-15,17,24-25H,2,7-8,12-13,16H2,1H3,(H,30,33)(H,34,35)
InChiKey YHWLBBANJNPHID-UHFFFAOYSA-N
Formula C29H29N3O6 Molecular Weight 515.56
Cross Link CHEMBL186549
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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