Details of the Drug

General Information of Drug (ID: DMKNIVG)

Drug Name
Sodium butyrate
Synonyms
Butyrate sodium; Sodium butanoate; Sodium propanecarboxylate; OR8783; Butanoic acid, sodium salt; Butyric Acid, Na; Sodium butyrate (USP); Sodium n-butyrate; TPA/BA; Tetradecanoyl phorbol acetate/ sodium butyrate; Butanoic acid, sodium salt (1:1); Tetradecanoyl phorbol acetate (TPA)/ sodium butyrate (BA)
Indication
Disease Entry ICD 11 Status REF
Acute myeloid leukaemia 2A60 Phase 2 [1]
Refractory sickle cell ulcers 3A51 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 110.09
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C4H7NaO2
IUPAC Name
sodium;butanoate
Canonical SMILES
CCCC(=O)[O-].[Na+]
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKey
MFBOGIVSZKQAPD-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
5222465
ChEBI ID
CHEMBL62381
CAS Number
156-54-7
TTD ID
D0I7IB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 1 (HDAC1) TT6R7JZ HDAC1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acute myeloid leukaemia
ICD Disease Classification 2A60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histone deacetylase 1 (HDAC1) DTT HDAC1 6.27E-01 0.11 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The enhancement of phase 2 enzyme activities by sodium butyrate in normal intestinal epithelial cells is associated with Nrf2 and p53. Mol Cell Biochem. 2012 Nov;370(1-2):7-14.
2 Anticancer activities of histone deacetylase inhibitors. Nat Rev Drug Discov. 2006 Sep;5(9):769-84.