AZT-1152 (CHEBI:167636)

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CHEBI:167636 - AZT-1152

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ChEBI ID	CHEBI:167636
ChEBI Name	AZT-1152
Stars
Definition	A dihydrogen phosphate prodrug of a pyrazoloquinazoline aurora kinase inhibitor AZD1152-hydroxyquinazoline pyrazol anilide(HQPA) and is converted rapidly to the active AZD1152-HQPA in plasma.
Last Modified	30 March 2021
Submitter	Gareth Owen
Downloads	Molfile

Formula	C26H31FN7O6P
Net Charge	0
Average Mass	587.549
Monoisotopic Mass	587.20575
SMILES	CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)nn3)ncnc2c1)CCOP(=O)(O)O
InChI	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)
InChIKey	GBJVVSCPOBPEIT-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	Aurora kinase inhibitor Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation).
Applications:	prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	AZT-1152 (CHEBI:167636) has functional parent AZD-1152 (CHEBI:91367)
	AZT-1152 (CHEBI:167636) has role antineoplastic agent (CHEBI:35610)
	AZT-1152 (CHEBI:167636) has role Aurora kinase inhibitor (CHEBI:70770)
	AZT-1152 (CHEBI:167636) has role prodrug (CHEBI:50266)
	AZT-1152 (CHEBI:167636) is a anilide (CHEBI:13248)
	AZT-1152 (CHEBI:167636) is a monoalkyl phosphate (CHEBI:25381)
	AZT-1152 (CHEBI:167636) is a monofluorobenzenes (CHEBI:83575)
	AZT-1152 (CHEBI:167636) is a pyrazoles (CHEBI:26410)
	AZT-1152 (CHEBI:167636) is a quinazolines (CHEBI:38530)
	AZT-1152 (CHEBI:167636) is a secondary amino compound (CHEBI:50995)
	AZT-1152 (CHEBI:167636) is a secondary carboxamide (CHEBI:140325)
	AZT-1152 (CHEBI:167636) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
2-[ethyl(3-{[4-({5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl}amino)quinazolin-7-yl]oxy}propyl)amino]ethyl dihydrogen phosphate

INNs	Source
barasertib	ChEBI
barasertib	ChEBI
barasertibum	ChEBI
barasertib	ChEBI

Synonyms	Source
AZD1152-HQPA dihydrogen phosphate	ChEBI
AZD2811	ChEBI
INH-34	ChEBI

Manual Xrefs	Databases
DB11747	DrugBank

Registry Numbers	Sources
CAS:722543-31-9	ChemIDplus
CAS:957881-03-7	ChemIDplus

Citations