Details of the Drug

General Information of Drug (ID: DMDGUEK)

Drug Name
P-tolyl 10H-phenothiazine-10-carboxylate
Synonyms CHEMBL481163; p-tolyl 10H-phenothiazine-10-carboxylate; SCHEMBL4449333
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) 333.4
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H15NO2S
IUPAC Name
(4-methylphenyl) phenothiazine-10-carboxylate
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H15NO2S/c1-14-10-12-15(13-11-14)23-20(22)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKey
HXQRAZTUUZVKLB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24905594
TTD ID
D0PQ5R

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 Carbamates with differential mechanism of inhibition toward acetylcholinesterase and butyrylcholinesterase. J Med Chem. 2008 Jul 24;51(14):4200-12.