Bioactive Compound Details

BioIDbio200543
NameAMREDOBRESIB
ChEMBL IDCHEMBL3919831
Molecular FormulaC26H29N9
Molecular Weight467.58
Molecular Weight (Monoisotopic)467.2546
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsAMREDOBRESIB|BI-894999|BI894999
SmilesCNc1nc(-c2nc3ccc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn2c(C)nnc12
InchiInChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)
Inchi KeyJLUUVUUYIXBDCG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score-1.5
Records Key['BDBM209472', 'III-13', 'AMREDOBRESIB']
Records Name['US9266891, III-13', '6-(1-benzyl-6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine', 'AMREDOBRESIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure