General
Preferred name
Gabaculine
Synonyms
3-AMINOBENZOIC ACID ()
P&D ID
PD008188
CAS
2906-33-4
99-05-8
915120-54-6
Tags
available
obsolete probe
drug candidate
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-Aminobenzoic acid has binding affinity towards Poly [ADP-ribose] polymerase 3, Kd = 2 µM. It also has inhibitory activity against 4-aminobutyrate aminotransferase, IC50= 1.8 µM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Molecular Weight
137.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.97
TPSA
63.32
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Source data
