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CHEBI:229222 - capivasertib

ChEBI IDCHEBI:229222
ChEBI Namecapivasertib
Stars
DefinitionAn aminopiperidine that is piperidine substituted by 7H-pyrrolo[2,3-d]pyrimidin-4-yl, amino, and [(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]aminocarbonyl groups at positions 1, 4, and 4, respectively. It is a pan-AKT kinase inhibitor used in combination with fulvestrant for the treatment of adult patients with hormone receptor (HR)-positive, human epidermal growth factor receptor 2 (HER2)-negative, locally advanced or metastatic breast cancer with one or more PIK3CA/AKT1/PTEN-alterations.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC21H25ClN6O2
Net Charge0
Average Mass428.924
Monoisotopic Mass428.17275
SMILESNC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3nccc23)CC1
InChIInChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1
InChIKeyJDUBGYFRJFOXQC-KRWDZBQOSA-N
Wikipedia
Roles Classification
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
capivasertib (CHEBI:229222) has role antineoplastic agent (CHEBI:35610)
capivasertib (CHEBI:229222) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
capivasertib (CHEBI:229222) is a aminopiperidine (CHEBI:48588)
capivasertib (CHEBI:229222) is a monochlorobenzenes (CHEBI:83403)
capivasertib (CHEBI:229222) is a piperidinecarboxamide (CHEBI:48592)
capivasertib (CHEBI:229222) is a primary alcohol (CHEBI:15734)
capivasertib (CHEBI:229222) is a pyrrolopyrimidine (CHEBI:38670)
capivasertib (CHEBI:229222) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Synonyms  Source
AZD-5363DrugBank
AZD5363DrugBank
AZD 5363DrugBank
(S)-4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamideChEBI
Brand Name  Source
TruqapDrugBank
Manual XrefsDatabases
DB12218DrugBank
HMDB0248786HMDB
D11371KEGG DRUG
CapivasertibWikipedia
0XZPDBeChem
Registry NumbersSources
CAS:1143532-39-1KEGG DRUG
Citations