Details of the Drug

General Information of Drug (ID: DMLVFUY)

Drug Name
N-o-Tolyl-1'H-phenothiazine-1'-carboxamide
Synonyms CHEMBL600460; ZINC13717070; BDBM50308406; AKOS004107642
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) 332.4
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H16N2OS
IUPAC Name
N-(2-methylphenyl)phenothiazine-10-carboxamide
Canonical SMILES
CC1=CC=CC=C1NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H16N2OS/c1-14-8-2-3-9-15(14)21-20(23)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h2-13H,1H3,(H,21,23)
InChIKey
ZYTFFKKLLJLEPW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19916610
TTD ID
D0Y0UV

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 Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants. Bioorg Med Chem. 2010 Mar 15;18(6):2232-2244.