Details of the Drug

General Information of Drug (ID: DM2J9RI)

Drug Name
(10H-phenothiazin-10-yl)(m-tolyl)methanone
Synonyms CHEMBL239401; AC1MRTR9; (10H-phenothiazin-10-yl)(m-tolyl)methanone; Oprea1_358386; BDBM50219209; AKOS005197735; AKOS002684869
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): 0 Molecular Weight (mw) 317.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H15NOS
IUPAC Name
(3-methylphenyl)-phenothiazin-10-ylmethanone
Canonical SMILES
CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H15NOS/c1-14-7-6-8-15(13-14)20(22)21-16-9-2-4-11-18(16)23-19-12-5-3-10-17(19)21/h2-13H,1H3
InChIKey
JSMJNESPMFVMAA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3473842
TTD ID
D05VLV

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.