Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H30N8O3S |
| Molecular Weight | 498.601 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](O)C(=O)N1CCN(CC2=C(C)C3=NC(=NC(N4CCOCC4)=C3S2)C5=CN=C(N)N=C5)CC1
InChI
InChIKey=YOVVNQKCSKSHKT-HNNXBMFYSA-N
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
DescriptionCurator's Comment: Description was created based on several sources, including http://www.pharmacodia.com/yaodu/html/v1/chemicals/1772c976b13a8c7b23be3976965dd543.html
http://adisinsight.springer.com/drugs/800030889
Curator's Comment: Description was created based on several sources, including http://www.pharmacodia.com/yaodu/html/v1/chemicals/1772c976b13a8c7b23be3976965dd543.html
http://adisinsight.springer.com/drugs/800030889
Apitolisib, a dual inhibitor of mTOR and phosphatidylinositol 3-kinase (PI3K), was being developed by Roche and Genentech as an orally administered therapy of cancer. Apitolisib is a selective, potent, orally bioavailable inhibitor of Class I PI3 kinase (PI3K) and mTOR kinase (TORC1/2) with excellent pharmacokinetic and pharmaceutical properties. Apitolisib displayed excellent potency against class I PI3K isoforms (IC50 PI3K-α, β, δ and γ = 4.8, 27, 6.7 and 14 nM) and mTOR kinase (IC50 = 17 nM) and selectivity against a large panel of other kinases. Apitolisib is in phase II trials by Genentech for the treatment of breast cancer, prostate cancer, endometrium cancer, kidney cancer. However, no recent development has been reported. It is also in phase I trials by Genentech for the treatment of non-Hodgkin's lymphoma.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4005 |
5.0 nM [IC50] | ||
Target ID: CHEMBL3130 |
7.0 nM [IC50] | ||
Target ID: CHEMBL3267 |
14.0 nM [IC50] | ||
Target ID: CHEMBL3145 |
27.0 nM [IC50] | ||
Target ID: CHEMBL2842 |
17.0 nM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Screening hospital admissions from the emergency department for occult carbon monoxide poisoning. | 1990 Jul |
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| The phosphoinositide 3-kinase pathway. | 2002 May 31 |
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| Defining the role of mTOR in cancer. | 2007 Jul |
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| mTOR signaling at a glance. | 2009 Oct 15 |
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| The emerging mechanisms of isoform-specific PI3K signalling. | 2010 May |
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| GDC-0980 is a novel class I PI3K/mTOR kinase inhibitor with robust activity in cancer models driven by the PI3K pathway. | 2011 Dec |
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| Discovery of a potent, selective, and orally available class I phosphatidylinositol 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) kinase inhibitor (GDC-0980) for the treatment of cancer. | 2011 Nov 10 |
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| Phosphoinositide 3-kinase (PI3K) pathway alterations are associated with histologic subtypes and are predictive of sensitivity to PI3K inhibitors in lung cancer preclinical models. | 2012 Dec 15 |
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| Modulation of Akt/mTOR signaling overcomes sunitinib resistance in renal and prostate cancer cells. | 2012 Jul |
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| Preclinical assessment of the absorption and disposition of the phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor GDC-0980 and prediction of its pharmacokinetics and efficacy in human. | 2012 Sep |
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C1404
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C129825
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AB-129
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1032754-93-0
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DB12180
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C91731
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DTXSID50145738
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CHEMBL1922094
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1C854K1MIJ
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ACTIVE MOIETY
