CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00142528" in compound.

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CFAM Mol ID CFAMM00142528
Family CFFCD196 Endothelin-1 receptor Ligand Atrasentan Family
Superfamily CFSCD179 Endothelin-1 receptor Ligand Atrasentan Superfamily
Class CFCCD141 Class 954
External ID CHEMBL591280 External Source CHEMBL
PubChem CID 45379730 Functional Category Bioactive
Molecule Name (3S)-4-(1,3-benzodioxol-5-ylmethylamino)-3-[[(2S)-2-[[(2S)-3-methyl-2-(naphthalene-2-carbonylamino)butanoyl]amino]propanoyl]amino]butanoic acid
IUPAC Name (3S)-4-(1,3-benzodioxol-5-ylmethylamino)-3-[[(2S)-2-[[(2S)-3-methyl-2-(naphthalene-2-carbonylamino)butanoyl]amino]propanoyl]amino]butanoic acid
Synonyms CHEBI:697233
InChi InChI=1S/C31H36N4O7/c1-18(2)28(35-30(39)23-10-9-21-6-4-5-7-22(21)13-23)31(40)33-19(3)29(38)34-24(14-27(36)37)16-32-15-20-8-11-25-26(12-20)42-17-41-25/h4-13,18-19,24,28,32H,14-17H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)(H,36,37)/t19-,24-,28-/m0/s1
Formula C31H36N4O7 Molecular Weight 576.64
Cross Link CHEMBL591280

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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