Details of the Drug

General Information of Drug (ID: DMLAEPF)

Drug Name
(4-bromophenyl)(10H-phenothiazin-10-yl)methanone
Synonyms CHEMBL239617; AC1MRSRY; Oprea1_099691; (4-bromophenyl)(10H-phenothiazin-10-yl)methanone; BDBM50219219; AKOS002684887
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) 382.3
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H12BrNOS
IUPAC Name
(4-bromophenyl)-phenothiazin-10-ylmethanone
Canonical SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H12BrNOS/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H
InChIKey
HIHPKBOMPNDAIA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3473392
TTD ID
D01XKY

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 Selective reversible inhibition of human butyrylcholinesterase by aryl amide derivatives of phenothiazine. Bioorg Med Chem. 2007 Oct 1;15(19):6367-78.