Details of the Drug

General Information of Drug (ID: DMK8VZM)

Drug Name
N-Methyl-1'H-phenothiazine-1'-carboxamide
Synonyms CHEMBL606338; 52985-78-1; CTK1E4142; DTXSID00601293; BDBM50308426; ZINC13717066; AKOS004108104; N-Methyl-1''H-phenothiazine-1''-carboxamide; 10H-Phenothiazine-10-carboxamide, N-methyl-
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) 256.32
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H12N2OS
IUPAC Name
N-methylphenothiazine-10-carboxamide
Canonical SMILES
CNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C14H12N2OS/c1-15-14(17)16-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)16/h2-9H,1H3,(H,15,17)
InChIKey
VBZPZJCWSNLVCY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
19916609
CAS Number
52985-78-1
TTD ID
D0G0GZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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.