Details of the Drug

General Information of Drug (ID: DMGY32O)

Drug Name
1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one
Synonyms CHEMBL394755; 1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one
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) 345.5
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C22H19NOS
IUPAC Name
1-phenothiazin-10-yl-4-phenylbutan-1-one
Canonical SMILES
C1=CC=C(C=C1)CCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H19NOS/c24-22(16-8-11-17-9-2-1-3-10-17)23-18-12-4-6-14-20(18)25-21-15-7-5-13-19(21)23/h1-7,9-10,12-15H,8,11,16H2
InChIKey
IDGMQHJPMVCZGQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44435200
TTD ID
D0YZ3E

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.