LADARIXIN

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Synonyms
Status
Molecule Category Free-form
UNII DEH7Q6472O
EPA CompTox DTXSID50234030

Structure

InChI Key DDLPYOCJHQSVSZ-SSDOTTSWSA-N
Smiles C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
InChI
InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12F3NO6S2
Molecular Weight 375.35
AlogP 1.09
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 106.61
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Interleukin-8 receptor A modulator MODULATOR 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
- - - - 67-68
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 60-68

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 CHEMBL189475
DrugBank DB16212
FDA SRS DEH7Q6472O
PubChem 11372270
SureChEMBL SCHEMBL251618
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