Details of the Drug

General Information of Drug (ID: DMVUJGI)

Drug Name
Azole derivative 7
Synonyms PMID25470667-Compound-Figure5-9
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 456.5
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C27H25FN4O2
IUPAC Name
2-[4-[4-[5-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]pyridin-2-yl]phenyl]cyclohexyl]acetic acid
Canonical SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)C4=NNC(=N4)C5=CC(=CC=C5)F
InChI
InChI=1S/C27H25FN4O2/c28-23-3-1-2-21(15-23)26-30-27(32-31-26)22-12-13-24(29-16-22)20-10-8-19(9-11-20)18-6-4-17(5-7-18)14-25(33)34/h1-3,8-13,15-18H,4-7,14H2,(H,33,34)(H,30,31,32)
InChIKey
IMVHPASOWCDZEL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71585251
TTD ID
D01DHT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Diacylglycerol acyltransferase 1 (DGAT1) TTF8P9I DGAT1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Diacylglycerol acyltransferase 1 (DGAT1) DTT DGAT1 3.51E-01 -0.41 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Acyltransferase inhibitors: a patent review (2010-present).Expert Opin Ther Pat. 2015 Feb;25(2):145-58.