CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00422095" 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 CFAMM00422095
Family CFFBM13382 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[2-(diethylamino)-5-[dimethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid family
Superfamily CFSID1669 Mitogen-activated protein kinase 8 Inhibitor 2-(2-phenoxypyrimidin-4-ylamino)benzoic Acid Superfamily
Class CFCCD37 Class 850
External ID CHEMBL2408064 External Source CHEMBL
PubChem CID 16678944 Functional Category Bioactive
Molecule Name (2S)-2-[[2-(diethylamino)-5-[diethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
IUPAC Name (2S)-2-[[2-(diethylamino)-5-[diethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
Synonyms SureCN1413095
InChi InChI=1S/C29H43N7O5/c1-6-33(7-2)27-30-20-24(36(10-5)28(39)34(8-3)9-4)25(32-27)31-23(26(37)38)19-21-13-15-22(16-14-21)41-29(40)35-17-11-12-18-35/h13-16,20,23H,6-12,17-19H2,1-5H3,(H,37,38)(H,30,31,32)/t23-/m0/s1
Formula C29H43N7O5 Molecular Weight 569.70
Cross Link CHEMBL2408064

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).

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National University of Singapore, Singapore

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