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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand elubirixin
Other databases
CAS Registry No. 688763-64-6
ChEMBL Ligand CHEMBL2178579
GtoPdb PubChem SID 252166707
PubChem CID 10479502
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UniChem Compound Search for chemical match using the InChIKey YQYFEGTYCUQBEI-UHFFFAOYSA-N
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