ELUBRIXIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MW2AIJ8USP

Structure
InChI Key YQYFEGTYCUQBEI-UHFFFAOYSA-N
Smile O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17Cl2FN4O4S
Molecular Weight 463.32
AlogP 3.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 110.77
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Interleukin-8 receptor B antagonist 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
- 5-311 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2178579
DrugBank DB12135
EPA CompTox DTXSID60218962
FDA SRS MW2AIJ8USP
Guide to Pharmacology 8499
PubChem 10479502
SureChEMBL SCHEMBL1562280
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