seletalisib   

GtoPdb Ligand ID: 9800

Synonyms: UCB 5857 | UCB-5857 | UCB5857
Compound class: Synthetic organic
Comment: Seletalisib is an orally bioavailable, potent and selective, ATP-competitive, small molecule inhibitor of PI3Kδ that is being developed by UCB Pharma for the treatment of immune and inflammatory diseases [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 90.53
Molecular weight 482.09
XLogP 5.6
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES [O-][n+]1cccc(c1)c1nc2c(cc1C(C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl
Isomeric SMILES [O-][n+]1cccc(c1)c1nc2c(cc1[C@H](C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl
InChI InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1
InChI Key LNLJHGXOFYUARS-OAQYLSRUSA-N
No information available.
Summary of Clinical Use
First-in-human results were reported by Helmer et al. (2017) [2]. This article reports data from clinical trials NCT02303509 (safety and tolerability in healthy and psoriatic subjects) and NCT02207595 (safety and tolerability in healthy subjects only). A proof of concept Phase 2 trial in patients with primary Sjögren's syndrome has been terminated due to difficulty in enrolling suitable patient numbers (NCT02610543).
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT02207595 Study to Assess the Safety, Tolerability, Pharmacokinetic and Pharmacodynamic Profiles of UCB5857 in Healthy Subjects Phase 1 Interventional UCB Pharma
NCT02303509 Study to Assess Safety, Tolerability, Pharmacokinetic & Pharmacodynamic Effect of UCB5857 in Healthy & Psoriatic Subject Phase 1 Interventional UCB Pharma
NCT02610543 UCB Proof of Concept Study in Patients With Primary Sjögren's Syndrome Phase 2 Interventional UCB Pharma