elubirixin   Click here for help

GtoPdb Ligand ID: 8499

Synonyms: SB 656933 | SB-656933 | SB656933
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Elubirixin (SB-656933) is reported as a CXCR2 selective antagonist [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 119.15
Molecular weight 462.03
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl
Isomeric SMILES O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl
InChI InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)
InChI Key YQYFEGTYCUQBEI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea
International Nonproprietary Names Click here for help
INN number INN
9560 elubrixin
Synonyms Click here for help
SB 656933 | SB-656933 | SB656933
Database Links Click here for help
CAS Registry No. 688763-64-6
ChEMBL Ligand CHEMBL2178579
GtoPdb PubChem SID 252166707
PubChem CID 10479502
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