INCB086550   Click here for help

GtoPdb Ligand ID: 11528

Compound class: Synthetic organic
Comment: INCB086550 is a small molecule PD-L1 inhibitor. This is the structure that was disclosed during the ACS First Disclosures session at the spring 2021 meeting. There are many potential stereo versions of this molecule, so we await formal peer-reviewed name to structure disclosure to confirm the structure. INCB086550 was designed by Incyte Corporation for activity against advanced solid tumours, as an alternative to anti-PD-L1 monoclonal antibodies. This isomer is calimed as example 24 in patent WO2018119266A1 [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 151.64
Molecular weight 693.31
XLogP 4.81
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O
Isomeric SMILES N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O
InChI InChI=1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1
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Summary of Clinical Use Click here for help
INCB086550 has entered clinical trials to evaluate its efficacy.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03762447 A Study Exploring the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of INCB086550 in Participants With Advanced Solid Tumors Phase 1 Interventional Incyte Corporation
NCT04674748 To Assess the Safety, Tolerability and Pharmacokinetics of INCB086550 Phase 1 Interventional Incyte Corporation
NCT04629339 Study of INCB086550 in Select Solid Tumors Phase 2 Interventional Incyte Corporation