Bioactive Compound Details

BioIDbio1124
NameMERIDIANIN C
ChEMBL IDCHEMBL44541
Molecular FormulaC12H9BrN4
Molecular Weight289.14
Molecular Weight (Monoisotopic)288.0011
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMeridianin C
SmilesNc1nccc(-c2c[nH]c3ccc(Br)cc23)n1
InchiInChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
Inchi KeyPKQJCYXKRNGUKQ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets51.0
Bioactivities94.0
Np Likeness Score-0.52
Records Key['27', 'Meridianin C', '3', '3', '28', '3', 'Merid C', '19', 'Meridianin C', '14', 'IN-333', 'B', '5']
Records Name['4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine', '4-(5-Bromo-1H-indol-3-yl)-pyrimidin-2-ylamine', 'meridianin C', 'meridianin C', '4-(5-Bromo-1H-indol-3-yl)pyrimidin-2-amine', 'meridianin C', '4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine', '4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine', 'Meridianin C', '4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine', 'Meridianin C', 'Meridianin C', '4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure