SAR-20347   Click here for help

GtoPdb Ligand ID: 9803

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SAR-20347 is an experimental small molecule Janus kinase 1 (JAK1)/ tyrosine kinase 2 (TYK2) inhibitor [2]. It has anti-inflammatory potential, via inhibition of Th17 proinflammatory cytokine production (e.g. IL-22 and IL-23) and signaling.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 110.69
Molecular weight 444.1
XLogP 3.08
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1ccc(cc1)Nc1oc(nc1C(=O)N)c1c(F)cccc1Cl)N1CCOCC1
Isomeric SMILES O=C(c1ccc(cc1)Nc1oc(nc1C(=O)N)c1c(F)cccc1Cl)N1CCOCC1
InChI InChI=1S/C21H18ClFN4O4/c22-14-2-1-3-15(23)16(14)19-26-17(18(24)28)20(31-19)25-13-6-4-12(5-7-13)21(29)27-8-10-30-11-9-27/h1-7,25H,8-11H2,(H2,24,28)
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Molecular structure representations generated using Open Babel