Bioactive Compound Details

BioIDbio813
NameBENZOXABOROLE
ChEMBL IDCHEMBL378506
Molecular FormulaC7H7BO2
Molecular Weight133.94
Molecular Weight (Monoisotopic)134.0539
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBenzo[C][1,2]Oxaborol-1(3H)-Ol|Benzoxaborole
SmilesOB1OCc2ccccc21
InchiInChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
Inchi KeyXOQABDOICLHPIS-UHFFFAOYSA-N
Molecular SpeciesNone
Targets87.0
Bioactivities114.0
Np Likeness ScoreNone
Records Key['SID534988', '19a', '1', '18', 'DDD00962178', '3', '10; AN2679', '1', 'lc', '125', '3a', '1', 'Benzoxaborole', '1']
Records Name['SID534988', '1,3-dihydro-1-hydroxy-2,1-benzoxaborole', 'benzoxaborole', 'benzo[c][1,2]oxaborol-1(3H)-ol', 'DDD00962178', 'Benzo[c][1,2]oxaborol-1(3H)-ol', 'benzo[c][1,2]oxaborol-1(3H)-ol', 'Benzo[c][1,2]oxaborol-1(3H)-ol', 'benzo[c][1,2]oxaborol-1(3H)-ol', 'benzo[c][1,2]oxaborol-1(3H)-ol', 'benzo[c][1,2]oxaborol-1(3H)-ol', '1-hydroxy-3H-2,1-benzoxaborole', 'Benzoxaborole', 'benzo[c][1,2]oxaborol-1(3H)-ol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure