RV1729   Click here for help

GtoPdb Ligand ID: 10162

Synonyms: RV-1729
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: RV1729 is a clinical stage PI3Kγδ inhibitor that is being developed by Janssen Biotech subsidiary RespiVert (and licensed to Pulmatrix in 2017). The chemical structure is claimed in patent WO/2012/052753 [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 163.51
Molecular weight 734.27
XLogP 5.8
No. Lipinski's rules broken 2
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Canonical SMILES COCCN(C(=O)CCCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cccc(c1)O)Cc1ccccc1Cl)CCOC
Isomeric SMILES COCCN(C(=O)CCCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cccc(c1)O)Cc1ccccc1Cl)CCOC
InChI InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)
Immunopharmacology Comments
RV1729 is a clinical stage PI3Kγδ inhibitor that is being investigated for the potential treatment of inflammatory lung diseases. Pharmacological inhibition of PI3K γ and δ isoforms reduces airway hyper-responsiveness, IgE release, pro-inflammatory cytokine expression, inflammatory cell accumulation into the lung and vascular permeability in preclinical model systems, and this mechanism has advanced to clinical evaluation in patients with inflammatory lung conditions such as asthma and COPD.