Compound Detail
CHEMBL3039531
DANIRIXIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3039531 |
| Name | DANIRIXIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NGYNBSHYFOFVLS-LBPRGKRZSA-N |
3
Targets
6
Activities
4
Assay Types
0
PK Parameters
20
Publications
6
Known Names
4
Indications
1
Mechanisms
Molecular Properties
441.9
MW (Da)
3.66
ALogP
5
HBA
4
HBD
107.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Interleukin-8 receptor B antagonist | ANTAGONIST | C-X-C chemokine receptor type 2 | ✓ | ✓ |
Indications
Pulmonary Disease, Chronic Obstructive Virus Diseases Respiratory Syncytial Virus Infections Respiratory Tract Infections
Activity Summary
IC50 3 meas. best 8.3
EC50 1 meas. best 6.1
Kd 1 meas. best 8.2
Ki 1 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 8.71 | 8.71 | 1.9 | 1 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 8.3 | 8.1 | 5.0 | 2 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Blood CHEMBL613416 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| CX3C chemokine receptor 1 CHEMBL4843 | EC50 | 6.1 | 6.1 | 800.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | Ki | = | 1.95 | nM | 8.71 | Binding affinity to NanoLuc fused Snap CXCR2 (unknown origin) expressed in HEK29... | 37523859 |
| C-X-C chemokine receptor type 2 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at CXCR2 (unknown origin) expressed in CHO-K1 cells co-expre... | - |
| C-X-C chemokine receptor type 2 | Kd | = | 6.31 | nM | 8.2 | Binding affinity to CXCL2 (unknown origin) | 37523859 |
| C-X-C chemokine receptor type 2 | IC50 | = | 12.5 | nM | 7.9 | Displacement of [125I]-CXCL8 from human CXCR2 transfected in CHO-K1 cell membran... | 36780833 |
| Blood | IC50 | = | 500.0 | nM | 6.3 | Inhibition of GROalpha-induced CD11b integrin expression on human neutrophils in... | - |
| CX3C chemokine receptor 1 | EC50 | = | 800.53 | nM | 6.1 | GPCR PRESTO-Tango dose-response in antagonist mode with target: CX3CR1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 24 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| 37523859 | 10.1021/acs.jmedchem.3c00849 | C-X-C chemokine receptor type 2 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine