Details of the Drug | DrugMAP

General Information of Drug (ID: DML1IXV)

Drug Name	Aryl oxyanilide derivative 1
Synonyms	PMID27607364-Compound-52
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)			409.9
	Logarithm of the Partition Coefficient (xlogp)			5.7
	Rotatable Bond Count (rotbonds)			7
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C24H24ClNO3 IUPAC Name N-(4-chloro-2-phenoxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide Canonical SMILES CC(C)OC1=CC=CC=C1CN(C2=C(C=C(C=C2)Cl)OC3=CC=CC=C3)C(=O)C InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3 InChIKey CGUBOFYHGYNUDL-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 9844410 CAS Number 220551-79-1 TTD ID D04JEH

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)

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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.