Details of the Drug

General Information of Drug (ID: DMGHEQV)

Drug Name
Butyl 10H-phenothiazine-10-carboxylate
Synonyms CHEMBL481142; butyl 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): 0 Molecular Weight (mw) 299.4
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H17NO2S
IUPAC Name
butyl phenothiazine-10-carboxylate
Canonical SMILES
CCCCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C17H17NO2S/c1-2-3-12-20-17(19)18-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)18/h4-11H,2-3,12H2,1H3
InChIKey
YNOVMVUUQJTZIS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24905534
TTD ID
D0V8PE

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.