Details of the Drug | DrugMAP

General Information of Drug (ID: DMZSI15)

Drug Name	PMID27607364-Compound-64
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			378.4
	Logarithm of the Partition Coefficient (xlogp)			4.5
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C22H18FNO4 IUPAC Name N-(1,3-benzodioxol-4-ylmethyl)-2-(18F)fluoranyl-N-(2-phenoxyphenyl)acetamide Canonical SMILES C1OC2=CC=CC(=C2O1)CN(C3=CC=CC=C3OC4=CC=CC=C4)C(=O)C[18F] InChI InChI=1S/C22H18FNO4/c23-13-21(25)24(14-16-7-6-12-20-22(16)27-15-26-20)18-10-4-5-11-19(18)28-17-8-2-1-3-9-17/h1-12H,13-15H2/i23-1 InChIKey JHMUPOREYLLSRB-VNRZBHCFSA-N
Cross-matching ID	PubChem CID 53245982 TTD ID D03PTY

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.