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CHEBI:94573 - zibotentan

Default Structure
ChEBI IDCHEBI:94573
ChEBI Namezibotentan
Stars
DefinitionA member of the class of pyridinesulfonamides that is benzene substituted by 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]pyridin-2-yl and 1,3,4-oxadiazol-2-yl groups at positions 1 and 4, respectively. It is an endothelin A receptor antagonist with potential antineoplastic activity.
Last Modified14 June 2024
DownloadsMolfile
FormulaC19H16N6O4S
Net Charge0
Average Mass424.442
Monoisotopic Mass424.09537
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
InChIKeyFJHHZXWJVIEFGJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
endothelin A receptor antagonist  A endothelin receptor antagonist is a drug which selectively blocks endothelin A receptors.
Applications:
endothelin A receptor antagonist  A endothelin receptor antagonist is a drug which selectively blocks endothelin A receptors.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
zibotentan (CHEBI:94573) has role antihypertensive agent (CHEBI:35674)
zibotentan (CHEBI:94573) has role antineoplastic agent (CHEBI:35610)
zibotentan (CHEBI:94573) has role endothelin A receptor antagonist (CHEBI:51452)
zibotentan (CHEBI:94573) is a 1,3,4-oxadiazoles (CHEBI:46810)
zibotentan (CHEBI:94573) is a aromatic ether (CHEBI:35618)
zibotentan (CHEBI:94573) is a benzenes (CHEBI:22712)
zibotentan (CHEBI:94573) is a phenylpyridine (CHEBI:38193)
zibotentan (CHEBI:94573) is a pyrazines (CHEBI:38314)
zibotentan (CHEBI:94573) is a pyridinesulfonamide (CHEBI:48100)
IUPAC Name 
N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
Synonyms  Source
AZD-4054DrugBank
N-(3-methoxy-5-methyl-2-pyrazinyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridinesulfonamideChEBI
ZD 4054ChEBI
ZD-4054DrugBank
ZD4054DrugBank
Manual XrefsDatabases
D07741KEGG DRUG
DB06629DrugBank
HMDB0260003HMDB
LSM-5453LINCS
ZibotentanWikipedia
Registry NumbersSources
CAS:186497-07-4ChEBI
Citations