SX-517   

GtoPdb Ligand ID: 8501

Compound class: Synthetic organic
Comment: SX-517 is reported as an antagonist of the CXCR1 and CXCR2 cytokine receptors [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 107.75
Molecular weight 382.1
XLogP 3.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O
Isomeric SMILES Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O
InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
InChI Key VZRIHFZJVIOJBE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[2-[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]phenyl]boronic acid
Database Links
BindingDB Ligand 150811
GtoPdb PubChem SID 252166709
PubChem CID 46897162
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