PD-98059

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H13NO3
Molecular Weight	267.2793
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChIKey=QFWCYNPOPKQOKV-UHFFFAOYSA-N

InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

HIDE SMILES / InChI

Molecular Formula	C16H13NO3
Molecular Weight	267.2793
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
Dual specificity mitogen-activated protein kinase kinase 1 20 Target ID: CHEMBL3587 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12672248 \| https://www.ncbi.nlm.nih.gov/pubmed/7499206	Inhibitor 8297		2.0 µM [IC50]
Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) 1 Target ID: CHEMBL2111351 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11784156	Inhibitor 8297		2.8 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:04:48 GMT 2023` Edited by `admin` on `Sat Dec 16 11:04:48 GMT 2023`
Record UNII	SJE1IO5E3I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PD-98059

Code

English

2-(2'-AMINO-3'-METHOXYPHENYL)OXANAPHTHALEN-4-ONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 2-(2-AMINO-3-METHOXYPHENYL)-

Systematic Name

English

2-(2-AMINO-3-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

PD-098059

Code

English

NSC-679829

Code

English

PD 98059 [WHO-DD]

Common Name

English

NSC-679828

Code

English

Code System Code Type Description

FDA UNII

SJE1IO5E3I

Created by admin on Sat Dec 16 11:04:49 GMT 2023 , Edited by admin on Sat Dec 16 11:04:49 GMT 2023

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CHEBI

77954

Created by admin on Sat Dec 16 11:04:48 GMT 2023 , Edited by admin on Sat Dec 16 11:04:48 GMT 2023

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EPA CompTox

DTXSID40168416

Created by admin on Sat Dec 16 11:04:49 GMT 2023 , Edited by admin on Sat Dec 16 11:04:49 GMT 2023

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NSC

679829

Created by admin on Sat Dec 16 11:04:49 GMT 2023 , Edited by admin on Sat Dec 16 11:04:49 GMT 2023

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CAS

167869-21-8

Created by admin on Sat Dec 16 11:04:48 GMT 2023 , Edited by admin on Sat Dec 16 11:04:48 GMT 2023

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NCI_THESAURUS

C1625

Created by admin on Sat Dec 16 11:04:49 GMT 2023 , Edited by admin on Sat Dec 16 11:04:49 GMT 2023

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NSC

679828

Created by admin on Sat Dec 16 11:04:49 GMT 2023 , Edited by admin on Sat Dec 16 11:04:49 GMT 2023

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PUBCHEM

4713

Created by admin on Sat Dec 16 11:04:49 GMT 2023 , Edited by admin on Sat Dec 16 11:04:49 GMT 2023

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