Details of the Drug

General Information of Drug (ID: DM4E8C9)

Drug Name
N,N-Diisopropyl-1'H-phenothiazine-1'-carboxamide
Synonyms CHEMBL588172; Oprea1_258691; BDBM50308413
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) 326.5
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H22N2OS
IUPAC Name
N,N-di(propan-2-yl)phenothiazine-10-carboxamide
Canonical SMILES
CC(C)N(C(C)C)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3
InChIKey
RSDPPDLPSMZJPP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12851057
TTD ID
D00XHC

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.