3,6-DICHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

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

Structure Search

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

Molecular Formula	C9H4Cl2O2S
Molecular Weight	247.098
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial 1 Target ID: O14874 Gene ID: 10295.0 Gene Symbol: BCKDK Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24895126	Inhibitor 8297		3.19 µM [IC50]

PubMed

Title	Date	PubMed
Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain α-ketoacid dehydrogenase kinase.	2014 Jul 25	24895126

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:35:27 GMT 2023` Edited by `admin` on `Sat Dec 16 15:35:27 GMT 2023`
Record UNII	D6H647726W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,6-DICHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Common Name

English

3,6-DICHLOROBENZOTHIOPHENE-2-CARBOXYLIC ACID

Common Name

English

BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 3,6-DICHLORO-

Common Name

English

3,6-DICHLOROBENZO(B)THIOPHENE-2-CARBOXYLIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

739884

Created by admin on Sat Dec 16 15:35:27 GMT 2023 , Edited by admin on Sat Dec 16 15:35:27 GMT 2023

PRIMARY

FDA UNII

D6H647726W

Created by admin on Sat Dec 16 15:35:27 GMT 2023 , Edited by admin on Sat Dec 16 15:35:27 GMT 2023

PRIMARY

Related Record Type Details


					TNF61X6TFD

(3-METHYL-2-OXOBUTANOATE DEHYDROGENASE (LIPOAMIDE)) KINASE, MITOCHONDRIAL

TARGET -> INHIBITOR

Qualification:

IC50

Amount: