CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00183604" in compound.

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CFAM Mol ID CFAMM00183604
Family CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family
Superfamily CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily
Class CFCID105 Class 1455
External ID CHEMBL173699 External Source CHEMBL
PubChem CID 10556712 Functional Category Bioactive
Molecule Name (3S)-4-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-4-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:387664
InChi InChI=1S/C36H49N7O8/c1-20(2)17-26(39-29(44)18-23-12-14-24(15-13-23)38-36(51)41-25-10-7-6-9-22(25)5)33(48)40-27(19-30(45)46)34(49)42-31(21(3)4)35(50)43-16-8-11-28(43)32(37)47/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H2,37,47)(H,39,44)(H,40,48)(H,42,49)(H,45,46)(H2,38,41,51)/t26-,27-,28-,31-/m0/s1
Formula C36H49N7O8 Molecular Weight 707.82
Cross Link CHEMBL173699

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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