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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:adavosertib
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Accession:CHEBI:91414 term browser browse the term
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.
Synonyms:exact_synonym: 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
 related_synonym: AZD 1775;   AZD1775;   Formula=C27H32N8O2;   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;   MK-1775;   MK1775;   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;   adavosertibum
 xref: CAS:955365-80-7;   DrugBank:DB11740;   HMDB:HMDB0254782;   KEGG:D11361;   LINCS:LSM-1153
 xref_mesh: MESH:C549567
 xref: PDBeChem:8X7;   PMCID:PMC11183722;   PMID:19887545;   PMID:28792760;   PMID:31540690;   PMID:32556602;   PMID:33670166;   PMID:33863809;   PMID:34212455;   PMID:34379792;   PMID:34538072;   PMID:35672254;   PMID:36524815;   PMID:36612094;   PMID:37081608;   PMID:37197456;   PMID:37278879;   PMID:37279095;   PMID:37296592;   PMID:37368100;   PMID:37370065;   PMID:37380217;   PMID:37394627;   PMID:37426130;   PMID:37633054;   PMID:37659202;   PMID:37715172;   PMID:37758718;   PMID:38051741;   PMID:38085423;   PMID:38103761;   PMID:38167245;   PMID:38519399;   PMID:38593512;   PMID:38920407;   Wikipedia:Adavosertib


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adavosertib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cdk1 cyclin-dependent kinase 1 decreases phosphorylation ISO adavosertib results in decreased phosphorylation of CDK1 protein CTD PMID:25125259 NCBI chr20:19,266,226...19,281,417
Ensembl chr20:19,266,248...19,281,408 		JBrowse link
G Tp53 tumor protein p53 increases response to substance ISO TP53 gene mutant form results in increased susceptibility to adavosertib
TRP53 gene mutant form results in increased susceptibility to adavosertib		 CTD PMID:25125259 NCBI chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524 		JBrowse link
G Wee1 WEE1 G2 checkpoint kinase decreases phosphorylation ISO adavosertib results in decreased phosphorylation of WEE1 protein CTD PMID:25125259 NCBI chr 1:164,173,681...164,197,688
Ensembl chr 1:164,174,779...164,197,688 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      application 19722
        pharmaceutical 19556
          drug 19556
            antineoplastic agent 17830
              adavosertib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    main group molecular entity 19849
                      s-block molecular entity 19681
                        hydrogen molecular entity 19662
                          hydrides 19167
                            inorganic hydride 18182
                              pnictogen hydride 18172
                                nitrogen hydride 18085
                                  azane 17866
                                    ammonia 17865
                                      organic amino compound 17888
                                        tertiary amino compound 10155
                                          N-alkylpiperazine 3404
                                            N-methylpiperazine 1389
                                              adavosertib 3
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