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Compound Detail

CHEMBL1354

SODIUM ACETATE
💊 Approved Drug
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💊 Approved Drug
CC(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1354
Name SODIUM ACETATE
Phase Approved
Structure Type MOL
InChI Key VMHLLURERBWHNL-UHFFFAOYSA-M

Known Names

Acetic acid, sodium salt (1:1) E-262(I) E262 FEMA NO. 3024 INS NO.262(I) INS-262(I) NSC-77459 Sodium acetate Sodium acetate (3h2o) Sodium acetate anhydrous Sodium acetate component of procalamine Sodium acetate hydrate +3 more
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
13
Publications
15
Known Names
5
Indications

Molecular Properties

82.0
MW (Da)

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Extended Properties

Molecular Formula C2H3NaO2
MW 82.03

Indications

Hemorrhage Hyponatremia Ornithine Carbamoyltransferase Deficiency Disease Brain Neoplasms Stroke

ATC Classification

B05XA08
sodium acetate
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS

Activity Summary

Ki 7 meas. best 5.14
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 5.14 5.14 7300.0 1
Carbonic anhydrase 1
CHEMBL261
 Ki 4.97 4.97 10800.0 1
Carbonic anhydrase
CHEMBL5337
 Ki 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 7300.0 nM 5.14 Inhibition of Cryptococcus neoformans Can2 19297172
Carbonic anhydrase 1 Ki = 10800.0 nM 4.97 Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration... 21402476
Carbonic anhydrase Ki = 36000.0 nM 4.44 Inhibition of Candida albicans Nce103 19297172

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
20014752 10.1021/tx900326k Hepatotoxicity 3
21402476 10.1016/j.bmcl.2011.02.057 Unchecked 2
19278021 10.1002/ps.1747 Unchecked 2
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 1 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 2 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 4 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 5A, mitochondrial 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 9 1
19297172 10.1016/j.bmc.2009.02.058 Carbonic anhydrase 2 1
19297172 10.1016/j.bmc.2009.02.058 Unchecked 1
19297172 10.1016/j.bmc.2009.02.058 Carbonic anhydrase 1
21402476 10.1016/j.bmcl.2011.02.057 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine