SODIUM PHENYLBUTYRATE

Search structure
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A16AX03
UNII: NT6K61736T

Structure
InChI Key VPZRWNZGLKXFOE-UHFFFAOYSA-M
Smile O=C([O-])CCCc1ccccc1.[Na+]
InChI
InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11NaO2
Molecular Weight 186.19
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
SEQUESTERING AGENT Glutamine sequestering agent PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- - - 6340 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- - - 6340 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - 6340 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- - - 6340 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urea Cycle Disorders, Inborn 4 D056806 ClinicalTrials
Tuberculosis, Pulmonary 2 D014397 ClinicalTrials
Argininosuccinic Aciduria 2 D056807 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials
Machado-Joseph Disease 2 D017827 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Muscular Atrophy, Spinal 1 D009134 ClinicalTrials
Pyruvate Dehydrogenase Complex Deficiency Disease 1 D015325 ClinicalTrials
Amyotrophic Lateral Sclerosis 1 D000690 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Myelodysplastic-Myeloproliferative Diseases 1 D054437 ClinicalTrials

Cross References

Resources Reference
ChEBI 75316
ChEMBL CHEMBL1746
EPA CompTox DTXSID7040948
FDA SRS NT6K61736T
PharmGKB PA166114316
SureChEMBL SCHEMBL125792
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