Details of the Drug | DrugMAP

General Information of Drug (ID: DMFXC5L)

Drug Name	Benzodiazepine derivative 1
Synonyms	PMID27607364-Compound-3
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			319.2
	Logarithm of the Partition Coefficient (xlogp)			3.8
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			2
Chemical Identifiers	Formula C16H12Cl2N2O IUPAC Name 7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one Canonical SMILES CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 InChIKey PUMYFTJOWAJIKF-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 1688 CAS Number 14439-61-3 TTD ID D0R2XX

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.