serabelisib   Click here for help

GtoPdb Ligand ID: 8969

Synonyms: INK 1117 | INK-1117 | INK1117 | MLN 1117 | MLN1117
Compound class: Synthetic organic
Comment: Serabelisib (INK-1117) is a potent and selective orally available phosphatidylinositol-3-kinase (PI3K) inhibitor, being investigated for its potential antineoplastic activity. This is compound 54 in patent US20130035324 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 98.89
Molecular weight 363.13
XLogP 1.65
No. Lipinski's rules broken 0
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Canonical SMILES Nc1oc2c(n1)cc(cc2)c1ccc2n(c1)c(cn2)C(=O)N1CCOCC1
Isomeric SMILES Nc1oc2c(n1)cc(cc2)c1ccc2n(c1)c(cn2)C(=O)N1CCOCC1
InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
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Summary of Clinical Use Click here for help
A Phase 2 clinical trial assessing serabelisib (which has variably been known as INK-1117, MLN1117 and TAK-117) with docetaxel in patients with locally advanced or metastatic non-small cell lung cancer (NSCLC; NCT02393209) was terminated due to a lack of efficacy of this drug combination. Various Phase 1 and 2 trials with different drug combinations and in different tumour types are ongoing as of October 2018. Click here to link to's full list of serabelisib trials.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02393209 Docetaxel With or Without TAK-117 (MLN1117) in Participants With Locally Advanced or Metastatic Non-small Cell Lung Cancer Phase 1/Phase 2 Interventional Takeda