General
Preferred name
SODIUM PHENYLBUTYRATE
Synonyms
Sodium 4-Phenylbutyrate ()
TriButyrate ()
Buphenyl ()
4-PBA (sodium) ()
4-Phenylbutyric acid (sodium) ()
Benzenebutyric acid (sodium) ()
4-PBA, 4-Phenylbutyric acid, NaPB ()
Ambutyrate ()
Pheburane ()
Benzenebutanoic acid, sodium salt ()
AMX-0035 COMPONENT SODIUM PHENYLBUTYRATE ()
AMX0035 COMPONENT SODIUM PHENYLBUTYRATE ()
NSC-657802 ()
ACER-001 ()
4-phenylbutyric acid, sodium salt ()
Ammonaps ()
Sodium 4-Phenylbutyrate ()
P&D ID
PD002524
CAS
1716-12-7
Tags
prodrug
natural product
drug
available
Drug indication
Antihyperammonemic
Spinal muscular atrophy
Drug Status
approved
Max Phase
Phase 4
First approval
1996
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
Histone deacetylase inhibitor
(Tocriscreen Plus)
DESCRIPTION
DNA topoisomerase I inhibitor; antitumor
(Tocris Bioactive Compound Library)
DESCRIPTION
Histone deacetylase inhibitor
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
13
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
DrugMAP
DrugMAP Approved Drugs
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
Tocriscreen Plus
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
186.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
-2.24
TPSA
40.13
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.5
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Pathway
Chromatin/Epigenetic
DNA Damage/DNA Repair
NF-??b
Apoptosis
Autophagy
Cell Cycle/DNA Damage
Epigenetics
Target
HDAC
Primary Target
Non-selective HDACs
MOA
Inhibitor
Source data
