Details of the Drug

General Information of Drug (ID: DM0G42B)

Drug Name
PMID18477808CB
Synonyms Cpd-B; cpd B; GTPL3367; 1065478-14-9
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 416.8
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C17H12ClF3N2O3S
IUPAC Name
5-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylphenyl]methyl]-1,3-thiazolidine-2,4-dione
Canonical SMILES
CC1=C(C=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,13H,5H2,1H3,(H,23,24,25)
InChIKey
ZAMASFSDWVSMSY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46216676
TTD ID
D0UH9E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Free fatty acid receptor 1 (GPR40) TTB8FUC FFAR1_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Free fatty acid receptor 1 (GPR40) DTT FFAR1 6.14E-01 -0.08 -1.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Selective small-molecule agonists of G protein-coupled receptor 40 promote glucose-dependent insulin secretion and reduce blood glucose in mice. Diabetes. 2008 Aug;57(8):2211-9.