Details of the Drug | DrugMAP

General Information of Drug (ID: DMUYVOP)

Drug Name	PMID25514969-Compound-Figure2-3
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			373.4
	Logarithm of the Partition Coefficient (xlogp)			2.5
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C23H23N3O2 IUPAC Name (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylpyridin-3-yl)methanone Canonical SMILES C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)C3=C(N=CC=C3)C4=CC=NC=C4 InChI InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2 InChIKey XKUZMIUSBMCVPP-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 73437845 CAS Number 1429505-03-2 TTD ID D0L5NZ

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.