Details of the Drug

General Information of Drug (ID: DMHS3N6)

Drug Name

2-biphenyl-4-yl-1-phenothiazin-10-yl-ethanone

Synonyms

CHEMBL240469; 2-biphenyl-4-yl-1-phenothiazin-10-yl-ethanone

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

393.5

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C26H19NOS
IUPAC Name: 1-phenothiazin-10-yl-2-(4-phenylphenyl)ethanone
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI: InChI=1S/C26H19NOS/c28-26(18-19-14-16-21(17-15-19)20-8-2-1-3-9-20)27-22-10-4-6-12-24(22)29-25-13-7-5-11-23(25)27/h1-17H,18H2
InChIKey: HQYQYXMOSDNQPG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective reversible inhibition of human butyrylcholinesterase by aryl amide derivatives of phenothiazine. Bioorg Med Chem. 2007 Oct 1;15(19):6367-78.