Bioactive Compound Details

BioIDbio489
NameSIPATRIGINE
ChEMBL IDCHEMBL28854
Molecular FormulaC15H16Cl3N5
Molecular Weight372.69
Molecular Weight (Monoisotopic)371.0471
TypeSmall molecule
Max PhasePhase 2
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms619-C-89|619C89|SIPATRIGINA|SIPATRIGINE
SmilesCN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1
InchiInChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
Inchi KeyPDOCBJADCWMDGL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets22.0
Bioactivities48.0
Np Likeness Score-1.42
Records Key['30', '1 (BW-619C89)', 'sipatrigine', '2', 'sipatrigine', 'SID174007059', 'BW-619', 'SIPATRIGINE', 'SIPATRIGINE', '19', 'sipatrigine', 'BW 619C89', 'sipatrigine', 'sipatrigine']
Records Name['2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine (BW619C89)', '2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine', 'sipatrigine', '2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine', 'Sipatrigine', 'SID174007059', '2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine', 'SIPATRIGINE', 'SIPATRIGINE', 'Sipatrigine', 'sipatrigine', 'Sipatrigin', 'sipatrigine', 'sipatrigine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure