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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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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

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Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            antineoplastic agent 17823
              adavosertib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    main group molecular entity 19817
                      s-block molecular entity 19653
                        hydrogen molecular entity 19634
                          hydrides 19144
                            inorganic hydride 18161
                              pnictogen hydride 18151
                                nitrogen hydride 18064
                                  azane 17872
                                    ammonia 17871
                                      organic amino compound 17871
                                        tertiary amino compound 10153
                                          N-alkylpiperazine 3407
                                            N-methylpiperazine 1390
                                              adavosertib 3
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