U.S. Department of Health & Human Services Divider Arrow 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

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

Approval Year

Name Type Language
BARASERTIB
INN   WHO-DD  
INN  
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