General
Preferred name
PHENYLBORONIC ACID
Synonyms
Phenylboric acid ()
Phenyldihydroxyborane ()
Phenyl Boronic acid ()
Benzeneboronic acid ()
P&D ID
PD008420
CAS
98-80-6
Tags
available
covalent binder
nuisance
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE
110
DESCRIPTION
Phenylboronic acid is a carbonic anhydrase inhibitor.
(Enamine Bioactive Compounds)
DESCRIPTION
Benzeneboronic acid (Phenylboronic acid) is a boronic acid that is used in Mizoroki-Heck and Suzuki-Miyaura coupling reactions.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
CovBinderInPDB
CZ-OPENSCREEN Bioactive Library
DrugBank
DrugMAP
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
122.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.63
TPSA
40.46
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
1
Impurity
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
Carbonic anhydrase inhibitor
Source data
