General
Preferred name
o-Hydroxybenzylamine
Synonyms
2-(Aminomethyl)phenol ()
2-Hydroxybenzylamine ()
2-HOBA ()
2-(Aminomethyl)phenol, 2-HOBA, NSC 127870 ()
2-Aminomethyl-Phenol ()
P&D ID
PD085571
CAS
50312-64-6
932-30-9
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 2
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
123.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.85
TPSA
46.25
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Immunology & Inflammation related
Source data
