Details of the Drug

General Information of Drug (ID: DME0XS4)

• Drug Name: PMID25514969-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.4
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H20N4O3
  IUPAC Name: [6-cyclopropyl-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: C1CC1C2=CN3C(=CN=C3C(=C2)C4=CN=CO4)C(=O)N5C6CCC5COC6
  InChI: InChI=1S/C20H20N4O3/c25-20(24-14-3-4-15(24)10-26-9-14)17-6-22-19-16(18-7-21-11-27-18)5-13(8-23(17)19)12-1-2-12/h5-8,11-12,14-15H,1-4,9-10H2
  InChIKey: SESFIBLYIKNNRP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118378889
  TTD ID: D08HYS

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.