Details of the Drug | DrugMAP

General Information of Drug (ID: DM584EP)

Drug Name	PMID27607364-Compound-60
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			439.5
	Logarithm of the Partition Coefficient (xlogp)			3.8
	Rotatable Bond Count (rotbonds)			10
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C24H25FN2O5 IUPAC Name N-[[2-(2-(18F)fluoranylethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-methoxyphenoxy)pyridin-3-yl]acetamide Canonical SMILES CC(=O)N(CC1=C(C=CC(=C1)OC)OCC[18F])C2=C(N=CC=C2)OC3=CC=C(C=C3)OC InChI InChI=1S/C24H25FN2O5/c1-17(28)27(16-18-15-21(30-3)10-11-23(18)31-14-12-25)22-5-4-13-26-24(22)32-20-8-6-19(29-2)7-9-20/h4-11,13,15H,12,14,16H2,1-3H3/i25-1 InChIKey WDCDJYGFOQXTQD-FNNGWQQSSA-N
Cross-matching ID	PubChem CID 44632752 CAS Number 1207345-42-3 TTD ID D06HIJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Translocator protein (TSPO)	TTPTXIN	TSPO_HUMAN	Ligand	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Translocator protein (TSPO) ligands for the diagnosis or treatment of neurodegenerative diseases: a patent review (2010-2015; part 1).Expert Opin Ther Pat. 2016 Nov;26(11):1325-1351.