AURORA KINASE INHIBITOR II

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20N4O3
Molecular Weight	400.4299
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=NC=NC(NC3=CC=C(NC(=O)C4=CC=CC=C4)C=C3)=C2C=C1OC

InChI

InChIKey=IMYVCWQAHSYYOO-UHFFFAOYSA-N

InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula	C23H20N4O3
Molecular Weight	400.4299
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
Serine/threonine-protein kinase Aurora-A 37 Target ID: CHEMBL4722 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18077363\|http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?tab=biology&ligandId=5930	Inhibitor 8297		310.0 nM [IC50]
Serine/threonine-protein kinase Aurora-B 28 Target ID: CHEMBL2185 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18077363\|http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?tab=biology&ligandId=5930	Inhibitor 8297		1.25 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:19:07 GMT 2023` Edited by `admin` on `Sat Dec 16 15:19:07 GMT 2023`
Record UNII	57YX8GY957
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AURORA KINASE INHIBITOR II

Common Name

English

BENZAMIDE, N-(4-((6,7-DIMETHOXY-4-QUINAZOLINYL)AMINO)PHENYL)-

Systematic Name

English

N-(4-((6,7-DIMETHOXYQUINAZOLIN-4-YL)AMINO)PHENYL)BENZAMIDE

Systematic Name

English

N-(4-((6,7-DIMETHOXY-4-QUINAZOLINYL)AMINO)PHENYL)BENZAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

6610278

Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023

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FDA UNII

57YX8GY957

Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023

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EPA CompTox

DTXSID00425012

Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023

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CAS

331770-21-9

Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023

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