General
Preferred name
M-Aminophenylboronic Acid
Synonyms
3-Aminophenylboronic acid ()
P&D ID
PD008316
CAS
280563-63-5
30418-59-8
Tags
covalent binder
drug candidate
available
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)
DESCRIPTION
3-Aminophenylboronic acid inhibits tyrosine-protein kinase ITK/TSK with IC50 = 600nM. It also inhibits beta-lactamase (Escherichia coli) with Ki= 7.3µM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Molecular Weight
137.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
-1.05
TPSA
66.48
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
