linperlisib   Click here for help

GtoPdb Ligand ID: 10466

Synonyms: compound 10 [US20160244432] | PI3Kdelta-IN-2 | YY-20394 | YY20394
Compound class: Synthetic organic
Comment: Linperlisib (YY-20394) is a PI3Kδ inhibitor claimed by Shanghai Yingli Pharmaceutical Company in their patent US20160244432A1 (as compound 10) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 138.39
Molecular weight 588.25
XLogP 3.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1
Isomeric SMILES COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1
InChI InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3
InChI Key NVWKNQGHVMMAJW-UHFFFAOYSA-N
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Summary of Clinical Use Click here for help
YY-20394 has been advanced to early stage clinical evaluation in solid tumours and haematological cancers. Click here to link to ClinicalTrials.gov's full list of YY-20394 studies.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04049929 A Phase I Study of YY-20394 in Patients With Advanced Solid Tumors Phase 1 Interventional Shanghai YingLi Pharmaceutical Co. Ltd.
NCT03757000 A Phase I Study of YY-20394 in Patients With B Cell Hematologic Malignancies Phase 1 Interventional Shanghai YingLi Pharmaceutical Co. Ltd.
NCT04108325 A Phase Ib Study of YY-20394 in Patients With Recurrent or Refractory Peripheral T-Cell Lymphoma Phase 1 Interventional Shanghai YingLi Pharmaceutical Co. Ltd.