EcoDrugPlus


Synonyms	CMI X-11S CPC-211 Ceresine DCA Dca sodium NSC-744479 Sodium dichloroacetate
Status
Molecule Category	Salt-form
UNII	42932X67B5
EPA CompTox	DTXSID8037207

Synonyms

CMI X-11S

CPC-211

Ceresine

DCA

Dca sodium

NSC-744479

Sodium dichloroacetate

Status

Molecule Category

Salt-form

UNII

42932X67B5

EPA CompTox

DTXSID8037207


InChI Key	LUPNKHXLFSSUGS-UHFFFAOYSA-M
Smiles	O=C([O-])C(Cl)Cl.[Na+]
InChI	InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1

InChI Key

LUPNKHXLFSSUGS-UHFFFAOYSA-M

Smiles

O=C([O-])C(Cl)Cl.[Na+]

InChI

InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1

Property Name	Value
Molecular Formula	C2HCl2NaO2
Molecular Weight	150.92

Property Name

Value

Molecular Formula

C2HCl2NaO2

Molecular Weight

150.92

Mechanism of Action	Action	Reference
Pyruvate dehydrogenase kinase inhibitor	INHIBITOR	PubMed PubMed

Mechanism of Action

Action

Reference

Pyruvate dehydrogenase kinase inhibitor

INHIBITOR

PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily	-	-	-	-	64.2

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily

64.2

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	64.2

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

64.2

Resources	Reference
ChEMBL	CHEMBL306823
FDA SRS	42932X67B5
PubChem	517326
SureChEMBL	SCHEMBL105849

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

SODIUM DICHLOROACETATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References