Details of the Drug

General Information of Drug (ID: DMW2X5V)

Drug Name
Tert-butyl 10H-phenothiazine-10-carboxylate
Synonyms CHEMBL444507; tert-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) 4.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H17NO2S
IUPAC Name
tert-butyl phenothiazine-10-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C17H17NO2S/c1-17(2,3)20-16(19)18-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)18/h4-11H,1-3H3
InChIKey
ZJCHCPTZZNZOLM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44568319
TTD ID
D0S8AS

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.