DB-07268

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H15N5O2
Molecular Weight	321.3333
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C1=CC=CC=C1NC2=CC=NC(NC3=CC=CC(O)=C3)=N2

InChI

InChIKey=QHPKKGUGRGRSGA-UHFFFAOYSA-N

InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)

HIDE SMILES / InChI

Molecular Formula	C17H15N5O2
Molecular Weight	321.3333
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17107797
Curator's Comment: Reference retrieved from https://www.medchemexpress.com/DB07268.html

DB07268, a 4-anilinopyrimidine compound, is an inhibitor of c-Jun N-terminal kinase (JNK1).

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
c-Jun N-terminal kinase 1 8 Target ID: CHEMBL2276 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17107797	Inhibitor 8297		9.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.	2007 Feb 1	17107797

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:29:53 GMT 2023` Edited by `admin` on `Sat Dec 16 15:29:53 GMT 2023`
Record UNII	MU563H6ION
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DB-07268

Code

English

BENZAMIDE, 2-((2-((3-HYDROXYPHENYL)AMINO)-4-PYRIMIDINYL)AMINO)-

Systematic Name

English

2-((2-(3-HYDROXYANILINO)PYRIMIDIN-4-YL)AMINO)BENZAMIDE

Systematic Name

English

DB07268

Code

English

2-((2-((3-HYDROXYPHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)BENZAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

16058637

Created by admin on Sat Dec 16 15:29:53 GMT 2023 , Edited by admin on Sat Dec 16 15:29:53 GMT 2023

PRIMARY

CAS

929007-72-7

Created by admin on Sat Dec 16 15:29:53 GMT 2023 , Edited by admin on Sat Dec 16 15:29:53 GMT 2023

PRIMARY

FDA UNII

MU563H6ION

Created by admin on Sat Dec 16 15:29:53 GMT 2023 , Edited by admin on Sat Dec 16 15:29:53 GMT 2023

PRIMARY

DRUG BANK

DB07268

Created by admin on Sat Dec 16 15:29:53 GMT 2023 , Edited by admin on Sat Dec 16 15:29:53 GMT 2023

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17107797Curator's Comment: Reference retrieved from https://www.medchemexpress.com/DB07268.html

Originator

Approval Year

Targets

Conditions

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17107797
Curator's Comment: Reference retrieved from https://www.medchemexpress.com/DB07268.html