CFam Chemical Families Database
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You are searching for "CFAMM00408821" in compound.

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CFAM Mol ID CFAMM00408821
Family CFFBM11378 Dipeptidyl peptidase 4 inhibitor 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxylic acid;hydrochloride family
Superfamily CFSBM2964 Dipeptidyl peptidase 4 and 5-hydroxytryptamine receptor 4 Binder Superfamily
Class CFCCD247 Class 1060
External ID CHEMBL2147085 External Source CHEMBL
PubChem CID 71456392 Functional Category Bioactive
Molecule Name 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride
IUPAC Name 2-[2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-9-yl]acetic acid;hydrochloride
Synonyms
InChi InChI=1S/C25H26ClN5O3.ClH/c1-29-19-10-4-7-15(12-20(32)33)21(19)22-23(24(29)34)31(13-16-6-2-3-9-18(16)26)25(28-22)30-11-5-8-17(27)14-30;/h2-4,6-7,9-10,17H,5,8,11-14,27H2,1H3,(H,32,33);1H/t17-;/m1./s1
InChiKey DYKZGZLGIFPQIN-UNTBIKODSA-N
Formula C25H27Cl2N5O3 Molecular Weight 516.42
Cross Link CHEMBL2147085
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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