iGMDRD592

Canonical SMILES: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O

InChI: InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1

InChI Key: YOVVNQKCSKSHKT-HNNXBMFYSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameApitolisib
CHEMBLCHEMBL1922103 CHEMBL1922106 CHEMBL1922094
Pubchem CID25254100
DRUGBANK IDDB12180
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

HEAD_NECtissue: HEAD_NEC cancer: HEAD_NECK model num: 0HEAD_NECKtissue: HEAD_NECK cancer: Head and Neck Squamous Cell Carcinoma (HNSC) model num: 1OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 1

Drug-gene pathway enrichments

2reactome: Signal Transduction2reactome: Signaling by VEGF2reactome: Regulation of signaling by CBL2reactome: Cytokine Signaling in Immune system2reactome: Immune System2reactome: Signaling by Receptor Tyrosine Kinases2reactome: Signaling by NTRKs2reactome: Interleukin-3, Interleukin-5 and GM-CSF signaling2reactome: VEGFA-VEGFR2 Pathway2reactome: Signaling by Interleukins

Drug-gene GO enrichments

3MF: 1-phosphatidylinositol-3-kinase activity2BP: platelet activation2MF: kinase activity2BP: phosphatidylinositol-mediated signaling2CC: phosphatidylinositol 3-kinase complex2BP: phosphatidylinositol phosphorylation2BP: phosphatidylinositol-3-phosphate biosynthetic process2CC: phosphatidylinositol 3-kinase complex, class IA2MF: phosphatidylinositol 3-kinase activity2MF: phosphatidylinositol-4,5-bisphosphate 3-kinase activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
5290 PIK3CA 2
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Gene in drug-gene network: Network Plot

cetuximabcetuximabPI3K pathway inhibitors (alone or in combination)PI3K pathway inhibitors (alone or in combination)quinoclaminequinoclaminecytochalasin.Bcytochalasin.BEverolimusEverolimusisoevodiamineisoevodiamineparbendazoleparbendazoletosedostattosedostatoligomycin.Aoligomycin.AML214ML214triptolidetriptolidePI3K pathway inhibitorsPI3K pathway inhibitorsBRD7137BRD7137BYL719 (Alpelisib)BYL719 (Alpelisib)trastuzumab alonetrastuzumab alonePIK3CAPIK3CAApitolisibApitolisib

Models in Apitolisib

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
SNV(PIK3CA E542K) gene 26787751 HEAD_NECK Head and Neck Squamous Cell Carcinoma (HNSC) Apitolisib sensitivity in vivo
SNV(PIK3CA E545K) gene 26787751 OTHER Cancer of Unknown Primary (CUP) Apitolisib sensitivity in vivo
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