Emavusertib

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25N7O5
Molecular Weight	491.4992
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Emavusertib

Structure Search

SMILES

CC1=CC(=CC=N1)C2=NC(=CO2)C(=O)NC3=C(N=C4N=C(OC4=C3)N5CCOCC5)N6CC[C@@H](O)C6

InChI

InChIKey=SJHNWSAWWOAWJH-MRXNPFEDSA-N

InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H25N7O5
Molecular Weight	491.4992
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:31:57 GMT 2023` Edited by `admin` on `Sat Dec 16 13:31:57 GMT 2023`
Record UNII	MH5DMF9JKY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Emavusertib

Official Name

English

emavusertib [INN]

Common Name

English

EMAVUSERTIB [USAN]

Common Name

English

N-{5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(morpholin-4-yl)[1,3]oxazolo[4,5-b]pyridin-6-yl}-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide

Systematic Name

English

4-oxazolecarboxamide, N-[5-[(3R)-3-hydroxy-1-pyrrolidinyl]-2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-

Systematic Name

English

CA-4948

Code

English

AU-4948

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

810321

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

FDA ORPHAN DRUG

810221

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

Code System Code Type Description

CAS

1801344-14-8

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

SMS_ID

300000017399

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

USAN

KL-121

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

FDA UNII

MH5DMF9JKY

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

INN

11558

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

INN

EPA CompTox

DTXSID001103300

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

PUBCHEM

118224491

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

NCI_THESAURUS

C148455

Created by admin on Sat Dec 16 13:31:57 GMT 2023 , Edited by admin on Sat Dec 16 13:31:57 GMT 2023

PRIMARY

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Emavusertib Hydrochloride

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Emavusertib Mesylate

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Emavusertib Tosylate

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Emavusertib Phosphate

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INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4

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Comments:

Time-resolved fluorescence resonance energy transfer (TR-FRET).

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INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1

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Kd

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ACTIVE MOIETY

Amount: