Bioactive Compound Details

BioIDbio1001
NameTRIMEDOXIME BROMIDE
ChEMBL IDCHEMBL426113
Molecular FormulaC15H18Br2N4O2
Molecular Weight446.14
Molecular Weight (Monoisotopic)286.1419
TypeSmall molecule
Max PhasePhase 2
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBROMURE DE TRIMEDOXIME|BROMURO DE TRIMEDOXIMA|C-434|NSC-148341|TMB-4|TRIMEDOXIME BROMIDE|Trimedoxime bromide
SmilesO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]
InchiInChI=1S/C15H16N4O2.2BrH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h2-5,8-13H,1,6-7H2;2*1H
Inchi KeyJHZHWVQTOXIXIV-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities43.0
Np Likeness Score-0.23
Records Key['4', '4, Trimedoxime', '1, K027', '2, trimedoxime', '2', 'K018', 'TRIMEDOXIME BROMIDE', '4', 'TMB-4']
Records Name['4-[(E)-(hydroxyimino)methyl]-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium dibromide', '1,3-bis(4-hydroxyiminomethylpyridinium)-propane dibromide', '4-(aminocarbonyl)-1-(4-{4-[(Z)-(hydroxyimino)methyl]pyridinium-1-yl}butyl)pyridinium dibromide', '1,3-bis(4-hydroxyiminomethylpyridinium)-propane dibromide', 'Trimedoxime', 1,1'-(propane-1,3-diyl)bis(4-((hydroxyimino)methyl)pyridinium)bromide", 'TRIMEDOXIME BROMIDE', 'trimedoxime', "1,1'-(propane-1,3-diyl)bis(4-((hydroxyimino)methyl)pyridinium)bromide"]"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure