BARASERTIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H31FN7O6P
Molecular Weight	587.5398
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BARASERTIB

Structure Search

SMILES

CCN(CCCOC1=CC2=C(C=C1)C(NC3=CC(CC(=O)NC4=CC=CC(F)=C4)=NN3)=NC=N2)CCOP(O)(O)=O

InChI

InChIKey=GBJVVSCPOBPEIT-UHFFFAOYSA-N

InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)

HIDE SMILES / InChI

Molecular Formula	C26H31FN7O6P
Molecular Weight	587.5398
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:47:02 UTC 2023` Edited by `admin` on `Fri Dec 15 16:47:02 UTC 2023`
Record UNII	16XC2U7W8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BARASERTIB

Official Name

English

AZD1152

Code

English

Barasertib [WHO-DD]

Common Name

English

barasertib [INN]

Common Name

English

1H-PYRAZOLE-3-ACETAMIDE, 5-((7-(3-(ETHYL(2-(PHOSPHONOOXY)ETHYL)AMINO)PROPOXY)-4-QUINAZOLINYL)AMINO)-N-(3-FLUOROPHENYL)-

Systematic Name

English

AZD-1152

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C62556

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

Code System Code Type Description

FDA UNII

16XC2U7W8N

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

CHEBI

167636

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

DRUG BANK

DB11747

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

CAS

722543-31-9

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

EPA CompTox

DTXSID00222583

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

ChEMBL

CHEMBL415049

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

CHEBI

91367

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

INN

9222

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

NCI_THESAURUS

C62502

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

SMS_ID

100000175264

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

PUBCHEM

11497983

Created by admin on Fri Dec 15 16:47:02 UTC 2023 , Edited by admin on Fri Dec 15 16:47:02 UTC 2023

PRIMARY

Related Record Type Details


					H3T2NXF7ZK

BARASERTIB DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					29P8LWS24N

DEFOSBARASERTIB

METABOLITE ACTIVE -> PRODRUG

Amount: