Details of the Drug

General Information of Drug (ID: DMXSAN7)

• Drug Name: PMID25514969-Compound-Figure2-4
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 392.3
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H15F3N4O3
  IUPAC Name: 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
  Canonical SMILES: C1CC2COCC1N2C(=O)C3=CN=C4N3C=C(C=C4C5=CN=CO5)C(F)(F)F
  InChI: InChI=1S/C18H15F3N4O3/c19-18(20,21)10-3-13(15-5-22-9-28-15)16-23-4-14(24(16)6-10)17(26)25-11-1-2-12(25)8-27-7-11/h3-6,9,11-12H,1-2,7-8H2
  InChIKey: OANZLTUUAVMTHM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118379001
  TTD ID: D0M4XO

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]

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.