NAVARIXIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
UNII 7V3BY6G538

Structure

InChI Key RXIUEIPPLAFSDF-CYBMUJFWSA-N
Smiles CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
InChI
InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N3O5
Molecular Weight 397.43
AlogP 2.9
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 111.88
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Interleukin-8 receptor A antagonist ANTAGONIST PubMed PubMed ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 0.049-680 - 4-20 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.6-680 - 5-18 -
Mus musculus
- 8.1 - - -

Target Conservation

Protein: Interleukin-8 receptor A
Description: C-X-C chemokine receptor type 1
Organism : Homo sapiens
P25024 ENSG00000163464
Protein: Interleukin-8 receptor B
Description: C-X-C chemokine receptor type 2
Organism : Homo sapiens
P25025 ENSG00000180871

Cross References

Resources Reference
ChEMBL CHEMBL2103864
FDA SRS 7V3BY6G538
Guide to Pharmacology 8497
PubChem 71587828
SureChEMBL SCHEMBL2024684
ChEMBL CHEMBL216981
FDA SRS 7V3BY6G538
Guide to Pharmacology 8497
PubChem 71587828
SureChEMBL SCHEMBL184744
ZINC ZINC000100033051
CONTENTS