CFam Chemical Families Database
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You are searching for "CFAMM00364150" 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 CFAMM00364150
Family CFFBM5486 Dihydrofolate reductase inhibitor AGN-PC-075RRH family
Superfamily CFSBM3031 Dihydrofolate reductase and Egl nine homolog 1 Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL149164 External Source CHEMBL
PubChem CID 44366301 Functional Category Bioactive
Molecule Name AGN-PC-075RRH
IUPAC Name 2-[[4-carboxy-4-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
Synonyms CHEBI:349612;2-[[4-carboxy-4-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
InChi InChI=1S/C28H28N8O6/c29-23-22-20(35-28(30)36-23)12-11-17(33-22)14-32-16-9-7-15(8-10-16)24(37)34-21(27(41)42)6-3-13-31-25(38)18-4-1-2-5-19(18)26(39)40/h1-2,4-5,7-12,21,32H,3,6,13-14H2,(H,31,38)(H,34,37)(H,39,40)(H,41,42)(H4,29,30,35,36)
InChiKey KSXVUNMKOILKAO-UHFFFAOYSA-N
Formula C28H28N8O6 Molecular Weight 572.57
Cross Link CHEMBL149164
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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