Compound Detail

CHEMBL191413

REPARIXIN

🧪 Phase III

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🧪 Phase III

CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL191413
Name	REPARIXIN
Phase	Phase III
Structure Type	MOL
InChI Key	KQDRVXQXKZXMHP-LLVKDONJSA-N

Known Names

DF 1681Y Df-1681y DF1681Y Reparixin Reparixina Reparixine Repertaxin

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

283.4

MW (Da)

2.06

ALogP

HBA

HBD

63.2

PSA (Å²)

0.90

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem	-rixin
USAN Year	2005

Extended Properties

Molecular Formula	C14H21NO3S
MW	283.39
Aromatic Rings	1
Heavy Atoms	19
NP-Likeness	-0.58

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Interleukin-8 receptor A modulator	MODULATOR	C-X-C chemokine receptor type 1	✓	✓
Interleukin-8 receptor B modulator	MODULATOR	C-X-C chemokine receptor type 2	✓	✓

Indications

Diabetes Mellitus, Type 1 Pneumonia Pneumonia, Viral Severe Acute Respiratory Syndrome Breast Neoplasms Pancreatitis, Chronic Reperfusion Injury Respiratory Distress Syndrome

Activity Summary

IC50 8 meas. best 9.0

Ki 1 meas.

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
C-X-C chemokine receptor type 2 CHEMBL2434	IC50	9.0	7.6667	1.0	3
C-X-C chemokine receptor type 1 CHEMBL4029	IC50	9.0	9.0	1.0	2
Interleukin-8 receptors, CXCR1/CXCR2 CHEMBL2096909	IC50	8.28	8.28	5.3	1
L1.2 CHEMBL612572	IC50	8.25	7.675	5.6	2

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	0.75	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
C-X-C chemokine receptor type 2	IC50	=	1.0	nM	9.0	Antagonist activity at CXCR2 assessed as inhibition of CXCL8-induced neutrophil ...	22931505
C-X-C chemokine receptor type 1	IC50	=	1.0	nM	9.0	Binding affinity to CXCR1	22931505
C-X-C chemokine receptor type 1	IC50	=	1.0	nM	9.0	Displacement of 125I-IL-8 from CXCR1 (unknown origin)	36780833
Interleukin-8 receptors, CXCR1/CXCR2	IC50	=	5.3	nM	8.28	Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells	15974585
L1.2	IC50	=	5.6	nM	8.25	Inhibition of CXCL8-induced cell migration in L1.2 cells expressing CXCR1 by che...	17665889
L1.2	IC50	=	80.0	nM	7.1	Inhibition of CXCL8-induced cell migration in L1.2 cells expressing Ile43Val CXC...	17665889
C-X-C chemokine receptor type 2	IC50	=	100.0	nM	7.0	Binding affinity to CXCR2	22931505
C-X-C chemokine receptor type 2	IC50	=	100.0	nM	7.0	Displacement of 125I-IL-8 from CXCR2 (unknown origin)	36780833

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5058564	Fibroblast	8
-	10.6019/CHEMBL5058564	U2OS	6
-	10.6019/CHEMBL4495565	SARS-CoV-2	6
-	10.6019/CHEMBL5209801	Apelin receptor	5
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	5
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	5
-	10.6019/CHEMBL5058564	HEK-293T	5
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	5
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	5
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	5
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	5
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	5
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	5
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	5
17665889	10.1021/jm061469t	L1.2	4
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	3
-	10.6019/CHEMBL5724581	B cell	2
-	10.6019/CHEMBL3301361	No relevant target	2

Data from ChEMBL 36 via Core Engine