Details of the Drug | DrugMAP

General Information of Drug (ID: DMIBRE5)

Drug Name	Quinazoline derivative 7
Synonyms	PMID27607364-Compound-51
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			341.8
	Logarithm of the Partition Coefficient (xlogp)			4.3
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C18H16ClN3O2 IUPAC Name [2-(2-chlorophenyl)quinazolin-4-yl] N-ethyl-N-methylcarbamate Canonical SMILES CCN(C)C(=O)OC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl InChI InChI=1S/C18H16ClN3O2/c1-3-22(2)18(23)24-17-13-9-5-7-11-15(13)20-16(21-17)12-8-4-6-10-14(12)19/h4-11H,3H2,1-2H3 InChIKey PBHDUERHMVFHLD-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 118472700 TTD ID D0TP7S

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.