Details of the Drug

General Information of Drug (ID: DMMV2LN)

Drug Name
Cyclopentyl 10H-phenothiazine-10-carboxylate
Synonyms CHEMBL520588; cyclopentyl 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) 311.4
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H17NO2S
IUPAC Name
cyclopentyl phenothiazine-10-carboxylate
Canonical SMILES
C1CCC(C1)OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C18H17NO2S/c20-18(21-13-7-1-2-8-13)19-14-9-3-5-11-16(14)22-17-12-6-4-10-15(17)19/h3-6,9-13H,1-2,7-8H2
InChIKey
NFZAMIJBLBLKQJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24905535
TTD ID
D08TBI

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.