Details of the Drug | DrugMAP

General Information of Drug (ID: DM2NVLZ)

Drug Name	PMID25514969-Compound-8
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			386.3
	Logarithm of the Partition Coefficient (xlogp)			3.8
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C19H13F3N4O2 IUPAC Name N-benzyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide Canonical SMILES C1=CC=C(C=C1)CNC(=O)C2=CN=C3N2C=C(C=C3C4=CN=CO4)C(F)(F)F InChI InChI=1S/C19H13F3N4O2/c20-19(21,22)13-6-14(16-9-23-11-28-16)17-24-8-15(26(17)10-13)18(27)25-7-12-4-2-1-3-5-12/h1-6,8-11H,7H2,(H,25,27) InChIKey PSHYVANCPSFWJM-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118378988 TTD ID D05TMN

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]

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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.