Details of the Drug

General Information of Drug (ID: DM5T23S)

Drug Name
N-Cyclobutyl-1'H-phenothiazine-1'-carboxamide
Synonyms CHEMBL591233; BDBM50308398
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) 296.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H16N2OS
IUPAC Name
N-cyclobutylphenothiazine-10-carboxamide
Canonical SMILES
C1CC(C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C17H16N2OS/c20-17(18-12-6-5-7-12)19-13-8-1-3-10-15(13)21-16-11-4-2-9-14(16)19/h1-4,8-12H,5-7H2,(H,18,20)
InChIKey
KNYQZMOQFRAHIS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46229054
TTD ID
D08NNF

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 Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants. Bioorg Med Chem. 2010 Mar 15;18(6):2232-2244.