Details of the Drug

General Information of Drug (ID: DMYDRB7)

Drug Name
Naphthalen-1-yl 10H-phenothiazine-10-carboxylate
Synonyms CHEMBL451838; naphthalen-1-yl 10H-phenothiazine-10-carboxylate; naphthyl phenothiazine-10-carboxylate; BDBM50292622; ZINC27529770; AKOS002279100
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) 369.4
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H15NO2S
IUPAC Name
naphthalen-1-yl phenothiazine-10-carboxylate
Canonical SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C23H15NO2S/c25-23(26-20-13-7-9-16-8-1-2-10-17(16)20)24-18-11-3-5-14-21(18)27-22-15-6-4-12-19(22)24/h1-15H
InChIKey
BJICBLMMTYZFKB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16645664
TTD ID
D0I7BX

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.