Bioactive Compound Details

BioIDbio200431
NameALOBRESIB
ChEMBL IDCHEMBL3982690
Molecular FormulaC26H23N5O2
Molecular Weight437.5
Molecular Weight (Monoisotopic)437.1852
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsALOBRESIB|GS 5829|GS-5829
SmilesCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InchiInChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
Inchi KeyCMSUJGUHYXQSOK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score-0.78
Records Key['BDBM249306', 'ALOBRESIB']
Records Name['US9458145, 1020-104', 'ALOBRESIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure