Details of the Drug

General Information of Drug (ID: DMW8BXG)

Drug Name
Naphthalen-2-yl(10H-phenothiazin-10-yl)methanone
Synonyms CHEMBL240900; naphthalen-2-yl(10H-phenothiazin-10-yl)methanone
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 353.4
Logarithm of the Partition Coefficient (xlogp) 5.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H15NOS
IUPAC Name
naphthalen-2-yl(phenothiazin-10-yl)methanone
Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C23H15NOS/c25-23(18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)26-22-12-6-4-10-20(22)24/h1-15H
InChIKey
VEKGHAIWOIIXFF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44435218
TTD ID
D0M6IJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
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.