Details of the Drug

General Information of Drug (ID: DMYWG7D)

Drug Name
1-(10H-phenothiazin-10-yl)-2-phenylpropan-1-one
Synonyms CHEMBL240045; 1-(10H-phenothiazin-10-yl)-2-phenylpropan-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) 331.4
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H17NOS
IUPAC Name
1-phenothiazin-10-yl-2-phenylpropan-1-one
Canonical SMILES
CC(C1=CC=CC=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C21H17NOS/c1-15(16-9-3-2-4-10-16)21(23)22-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)22/h2-15H,1H3
InChIKey
JSTQBEJYZPIVJU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44435193
TTD ID
D0H3WJ

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.