Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL306823

SODIUM DICHLOROACETATE
🧪 Phase III
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase III
O=C([O-])C(Cl)Cl.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306823
Name SODIUM DICHLOROACETATE
Phase Phase III
Structure Type MOL
InChI Key LUPNKHXLFSSUGS-UHFFFAOYSA-M

Known Names

Ceresine CMI X-11S CPC-211 DCA Dca sodium NSC-744479 Sodium dichloroacetate
2
Targets
25
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
8
Indications
1
Mechanisms

Molecular Properties

150.9
MW (Da)

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1999

Extended Properties

Molecular Formula C2HCl2NaO2
MW 150.92

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Pyruvate dehydrogenase kinase inhibitor INHIBITOR Pyruvate dehydrogenase kinase ✓ ✓

Indications

Acidosis, Lactic Pyruvate Dehydrogenase Complex Deficiency Disease Breast Neoplasms Carcinoma, Squamous Cell Glioblastoma Heart Diseases Lung Neoplasms Hypertension, Pulmonary

Activity Summary

IC50 20 meas. best 4.9
EC50 5 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCD-841CoN
CHEMBL4296406
 IC50 4.9 4.9 12500.0 1
HCT-116
CHEMBL394
 IC50 4.83 4.83 14800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCD-841CoN IC50 = 12500.0 nM 4.9 Cytotoxicity against human CRL1790 cells assessed as inhibition of cell growth 31864797
HCT-116 IC50 = 14800.0 nM 4.83 Cytotoxicity against human HCT116 cells assessed as inhibition of cell growth 31864797

Literature References

PubMed DOI Target Context # Activities
31509699 10.1021/acs.jmedchem.9b00644 MCF7 17
31088713 10.1016/j.bmcl.2019.05.006 Rho-associated protein kinase 2 8
31088713 10.1016/j.bmcl.2019.05.006 Rattus norvegicus 8
27006991 10.1021/acs.jmedchem.5b01828 MCF7 7
27006991 10.1021/acs.jmedchem.5b01828 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial 6
30470491 10.1016/j.bmcl.2018.11.035 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial 3
10425084 10.1021/jm9902584 Pyruvate dehydrogenase kinase 3
31509699 10.1021/acs.jmedchem.9b00644 4T1 3
10841803 10.1021/jm0000923 Pyruvate dehydrogenase kinase 2
27687671 10.1016/j.bmcl.2016.09.009 CDGSH iron-sulfur domain-containing protein 1 2
31509699 10.1021/acs.jmedchem.9b00644 ADMET 2
27006991 10.1021/acs.jmedchem.5b01828 ADMET 2
23067553 10.1016/j.bmcl.2012.07.057 A549 1
37688544 10.1021/acs.jmedchem.3c01197 Unchecked 1
23067553 10.1016/j.bmcl.2012.07.057 NON-PROTEIN TARGET 1
23067553 10.1016/j.bmcl.2012.07.057 NCI-H460 1
20663593 10.1016/j.ejmech.2010.06.032 A549 1
20663593 10.1016/j.ejmech.2010.06.032 KB 1
10841803 10.1021/jm0000923 Homo sapiens 1
10649979 10.1021/jm990358+ Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine