CFam Chemical Families Database
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You are searching for "CFAMM00486079" in compound.

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CFAM Mol ID CFAMM00486079
Family CFFBM28606 Dihydrofolate reductase inhibitor AGN-PC-073PP8 family
Superfamily CFSBM269 Dihydrofolate reductase and Cholecystokinin receptor type A Binder Superfamily
Class CFCCD37 Class 850
External ID CHEMBL44693 External Source CHEMBL
PubChem CID 44292046 Functional Category Bioactive
Molecule Name AGN-PC-073PP8
IUPAC Name 5-(1,3-benzodioxol-5-ylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
Synonyms CHEBI:169830;5-(1,3-benzodioxol-5-ylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
InChi InChI=1S/C27H27N9O6/c1-36(12-16-11-30-24-22(32-16)23(28)34-27(29)35-24)17-5-2-14(3-6-17)25(38)33-18(26(39)40)7-9-21(37)31-15-4-8-19-20(10-15)42-13-41-19/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,31,37)(H,33,38)(H,39,40)(H4,28,29,30,34,35)
InChiKey JVUJJVIMTYWCBT-UHFFFAOYSA-N
Formula C27H27N9O6 Molecular Weight 573.56
Cross Link CHEMBL44693
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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