REPARIXIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U604E1NB3K

Structure
InChI Key KQDRVXQXKZXMHP-LLVKDONJSA-N
Smile CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1
InChI
InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H21NO3S
Molecular Weight 283.39
AlogP 2.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.24
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Interleukin-8 receptor A modulator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 8
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 1-100 - - 65-68

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Pneumonia, Viral 3 D011024 ClinicalTrials
Pancreatitis, Chronic 2 D050500 ClinicalTrials
Reperfusion Injury 2 D015427 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Pneumonia 2 D011014 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 266359-83-5
ChEMBL CHEMBL191413
DrugBank DB12614
EPA CompTox DTXSID6046509
FDA SRS U604E1NB3K
Guide to Pharmacology 8498
PubChem 9838712
SureChEMBL SCHEMBL1884299
ZINC ZINC000000008717
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