M-77976

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H16N2O3
Molecular Weight	296.3205
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)C2=C(C)NN=C2C3=CC=C(O)C=C3O

InChI

InChIKey=GSBFARPNIZUMHA-UHFFFAOYSA-N

InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C17H16N2O3
Molecular Weight	296.3205
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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial 1 Target ID: Q16654 Gene ID: 5166.0 Gene Symbol: PDK4 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/21904029	Inhibitor 8297

PubMed

Title	Date	PubMed
Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.	2011 Sep	21904029

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:32:53 GMT 2023` Edited by `admin` on `Sat Dec 16 15:32:53 GMT 2023`
Record UNII	0613LSI19F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

M-77976

Code

English

4-(4-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOL-3-YL)BENZENE-1,3-DIOL

Systematic Name

English

1,3-BENZENEDIOL, 4-(4-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOL-3-YL)-

Systematic Name

English

M77976

Code

English

4-(4-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOL-3-YL)-1,3-BENZENEDIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

764764

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

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DRUG BANK

DB08356

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

PRIMARY

CAS

394237-61-7

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

PRIMARY

FDA UNII

0613LSI19F

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

PRIMARY