Details of the Drug

General Information of Drug (ID: DMQCVKO)

Drug Name
3-chlorophenyl 10H-phenothiazine-10-carboxylate
Synonyms CHEMBL481529; 3-chlorophenyl 10H-phenothiazine-10-carboxylate
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) 353.8
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H12ClNO2S
IUPAC Name
(3-chlorophenyl) phenothiazine-10-carboxylate
Canonical SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)OC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H12ClNO2S/c20-13-6-5-7-14(12-13)23-19(22)21-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)21/h1-12H
InChIKey
IXZXEECBRFSNPQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24905653
TTD ID
D04ZZU

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.