General Information of Drug (ID: DMAEZB1)

Drug Name
PMID25514969-Compound-9
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 372.3
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H11F3N4O2
IUPAC Name
8-(1,3-oxazol-5-yl)-N-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
Canonical SMILES
C1=CC=C(C=C1)NC(=O)C2=CN=C3N2C=C(C=C3C4=CN=CO4)C(F)(F)F
InChI
InChI=1S/C18H11F3N4O2/c19-18(20,21)11-6-13(15-8-22-10-27-15)16-23-7-14(25(16)9-11)17(26)24-12-4-2-1-3-5-12/h1-10H,(H,24,26)
InChIKey
SNIXWKGBBMUCPJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
118379029
TTD ID
D09RTV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholesterol 24-hydroxylase (CYP46A1) TT4EB85 CP46A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Imidazo[1,2-a]pyridines as cholesterol 24-hydroxylase (CYP46A1) inhibitors: a patent evaluation (WO2014061676).Expert Opin Ther Pat. 2015 Mar;25(3):373-7.