CFam Chemical Families Database
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You are searching for "CFAMM00423149" in compound.

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CFAM Mol ID CFAMM00423149
Family CFFBM13593 Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione family
Superfamily CFSBM4630 Cytochrome P450 3A4 and Dipeptidyl peptidase 4 Binder Superfamily
Class CFCCD376 Class 1189
External ID CHEMBL2425894 External Source CHEMBL
PubChem CID 71731605 Functional Category Bioactive
Molecule Name 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-[(7-fluoroquinolin-2-yl)methyl]pyrimidine-2,4-dione
IUPAC Name 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-[(7-fluoroquinolin-2-yl)methyl]pyrimidine-2,4-dione
Synonyms
InChi InChI=1S/C23H24FN5O2/c1-2-3-11-28-21(27-10-4-5-18(25)14-27)13-22(30)29(23(28)31)15-19-9-7-16-6-8-17(24)12-20(16)26-19/h6-9,12-13,18H,4-5,10-11,14-15,25H2,1H3/t18-/m1/s1
InChiKey LRJXBQIWFWQGFB-GOSISDBHSA-N
Formula C23H24FN5O2 Molecular Weight 421.47
Cross Link CHEMBL2425894
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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