CHEBI:91414 - adavosertib

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ChEBI Name adavosertib
ChEBI ID CHEBI:91414
Definition A member of the class of pyrazolopyrimidines that is 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one substituted by 6-(2-hydroxypropan-2-yl)pyridin-2-yl, prop-1-en-3-yl, [4-(4-methylpiperazin-1-yl)phenyl]amino groups at positions 1, 2, and 6, respectively. It is a potent and selective oral inhibitor of WEE1 kinase.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H32N8O2
Net Charge 0
Average Mass 500.607
Monoisotopic Mass 500.26482
InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
InChIKey BKWJAKQVGHWELA-UHFFFAOYSA-N
SMILES CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=CC=CC(=N2)C(C)(C)O)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing adavosertib (CHEBI:91414) has role antineoplastic agent (CHEBI:35610)
adavosertib (CHEBI:91414) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
adavosertib (CHEBI:91414) is a N-arylpiperazine (CHEBI:46848)
adavosertib (CHEBI:91414) is a N-methylpiperazine (CHEBI:46920)
adavosertib (CHEBI:91414) is a pyrazolopyrimidine (CHEBI:38669)
adavosertib (CHEBI:91414) is a pyridines (CHEBI:26421)
adavosertib (CHEBI:91414) is a secondary amino compound (CHEBI:50995)
adavosertib (CHEBI:91414) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
INNs Sources
adavosertib WHO MedNet
adavosertib WHO MedNet
adavosertib WHO MedNet
adavosertibum WHO MedNet
Synonyms Sources
AZD 1775 DrugBank
AZD-1775 DrugBank
AZD1775 DrugBank
MK 1775 DrugBank
MK-1775 DrugBank
MK1775 DrugBank
Manual Xrefs Databases
8X7 PDBeChem
Adavosertib Wikipedia
D11361 KEGG DRUG
DB11740 DrugBank
HMDB0254782 HMDB
LSM-1153 LINCS
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Registry Number Type Source
955365-80-7 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
05 July 2024