SB 225002   Click here for help

GtoPdb Ligand ID: 833

Synonyms: SB-225002 | SB225002
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SB 225002 is a potent and selective, non-peptide CXCR2 (IL-8RB) antagonist [1]. CXCR2 mediates IL-8-induced neutrophil chemotaxis and margination.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 104.5
Molecular weight 350.99
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1ccccc1Br)Nc1ccc(cc1O)[N+](=O)[O-]
Isomeric SMILES O=C(Nc1ccccc1Br)Nc1ccc(cc1O)[N+](=O)[O-]
InChI InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)
InChI Key MQBZVUNNWUIPMK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(2-bromophenyl)-1-(2-hydroxy-4-nitrophenyl)urea
Synonyms Click here for help
SB-225002 | SB225002
Database Links Click here for help
BindingDB Ligand 50203012
CAS Registry No. 182498-32-4 (source: Scifinder)
ChEMBL Ligand CHEMBL239767
GtoPdb PubChem SID 135650994
PubChem CID 3854666
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Tocris
SB 225002
Cat. No. 2725