General Information of Drug (ID: DMUPL0W)

Drug Name
PMID25514969-Compound-11
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.32
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H15FN4O3
IUPAC Name
[6-fluoro-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
Canonical SMILES
C1CC2COCC1N2C(=O)C3=CN=C4N3C=C(C=C4C5=CN=CO5)F
InChI
InChI=1S/C17H15FN4O3/c18-10-3-13(15-5-19-9-25-15)16-20-4-14(21(16)6-10)17(23)22-11-1-2-12(22)8-24-7-11/h3-6,9,11-12H,1-2,7-8H2
InChIKey
AVXVHVNSDORSDK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
118379012
TTD ID
D0LW9K

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.