danirixin   Click here for help

GtoPdb Ligand ID: 8500

Synonyms: GSK-1325756B | GSK1325756 | GSK1325756B
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Danirixin (GSK-1325756B) is being developed as a clinically efficacious antagonist of the CXCR2 chemokine receptor [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 115.91
Molecular weight 441.09
XLogP 4.68
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)C1CCCNC1)Cl
Isomeric SMILES O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)[C@H]1CCCNC1)Cl
InChI InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1
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
9559 danirixin
Synonyms Click here for help
GSK-1325756B | GSK1325756 | GSK1325756B
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Danirixin
GPCRdb Ligand danirixin
Other databases
CAS Registry No. 954126-98-8
ChEMBL Ligand CHEMBL3039531
GtoPdb PubChem SID 252166708
PubChem CID 24780598
Search Google for chemical match using the InChIKey NGYNBSHYFOFVLS-LBPRGKRZSA-N
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UniChem Compound Search for chemical match using the InChIKey NGYNBSHYFOFVLS-LBPRGKRZSA-N
UniChem Connectivity Search for chemical match using the InChIKey NGYNBSHYFOFVLS-LBPRGKRZSA-N