Details of the Drug | DrugMAP

General Information of Drug (ID: DMQB03U)

Drug Name	PMID25514969-Compound-13
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			387.3
	Logarithm of the Partition Coefficient (xlogp)			3.2
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			8
Chemical Identifiers	Formula C18H12F3N5O2 IUPAC Name N-benzyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide Canonical SMILES C1=CC=C(C=C1)CNC(=O)C2=NN=C3N2C=C(C=C3C4=CN=CO4)C(F)(F)F InChI InChI=1S/C18H12F3N5O2/c19-18(20,21)12-6-13(14-8-22-10-28-14)15-24-25-16(26(15)9-12)17(27)23-7-11-4-2-1-3-5-11/h1-6,8-10H,7H2,(H,23,27) InChIKey QZZRSTUQIGEDKT-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118378871 TTD ID D0RY9R

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.