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Details

Stereochemistry ACHIRAL
Molecular Formula C9H4Cl2O2S
Molecular Weight 247.098
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DICHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

SMILES

OC(=O)C1=C(Cl)C2=C(S1)C=C(Cl)C=C2

InChI

InChIKey=AAHPIJMQJAZYTM-UHFFFAOYSA-N
InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
1
Target ID: O14874
Gene ID: 10295.0
Gene Symbol: BCKDK
Target Organism: Homo sapiens (Human)
Inhibitor
8504
 3.19 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain α-ketoacid dehydrogenase kinase.
2014-07-25
Name Type Language
3,6-DICHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Common Name English
3,6-DICHLOROBENZO(B)THIOPHENE-2-CARBOXYLIC ACID
Preferred Name English
3,6-DICHLOROBENZOTHIOPHENE-2-CARBOXYLIC ACID
Common Name English
BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 3,6-DICHLORO-
Common Name English
Code System Code Type Description
PUBCHEM
739884
Created by admin on Wed Apr 02 06:01:14 GMT 2025 , Edited by admin on Wed Apr 02 06:01:14 GMT 2025
PRIMARY
FDA UNII
D6H647726W
Created by admin on Wed Apr 02 06:01:14 GMT 2025 , Edited by admin on Wed Apr 02 06:01:14 GMT 2025
PRIMARY
NIH
NCATS
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