CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00183624" in compound.

Total 1 results found.

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 CFAMM00183624
Family CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family
Superfamily CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily
Class CFCID105 Class 1455
External ID DNC000321 External Source TTD
PubChem CID 9961766 Functional Category Investigative Drug
Molecule Name BIO-1211
IUPAC Name (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Synonyms SureCN1223367;CHEMBL88478;GTPL6589;UNII-61G4E2353I;BIO1211;CHEBI:248046;BIO 1211;DNC000321;(1R)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-4-methyl-2-[2-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]pentanamido]propanamido]-3-methylbutanoyl]cyclopentane-1-carboxylic acid;187735-94-0
InChi InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
Formula C36H48N6O9 Molecular Weight 708.80
Cross Link CHEMBL88478

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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