Compound Detail
CHEMBL431511
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Basic Information
| ChEMBL ID | CHEMBL431511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHLGVUBRPWNMLF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.74
ALogP
5
HBA
1
HBD
68.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 7.5 | 7.44 | 32.0 | 2 |
| Interleukin-8 receptors, CXCR1/CXCR2 CHEMBL2096909 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 32.0 | nM | 7.5 | Displacement of [125I]IL-8 from CHO cell membranes expressing human CX3C chemoki... | 12031332 |
| Interleukin-8 receptors, CXCR1/CXCR2 | IC50 | = | 42.0 | nM | 7.38 | Inhibition against GRO-alpha driven human neutrophil chemotaxis | 12031332 |
| C-X-C chemokine receptor type 2 | IC50 | = | 42.0 | nM | 7.38 | Antagonist activity at CXCR2 in human neutrophils assessed as reduction in GRO-a... | 31732253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031332 | 10.1016/s0960-894x(02)00188-9 | Interleukin-8 receptors, CXCR1/CXCR2 | 1 |
| 12031332 | 10.1016/s0960-894x(02)00188-9 | Unchecked | 1 |
| 12031332 | 10.1016/s0960-894x(02)00188-9 | C-X-C chemokine receptor type 2 | 1 |
| 31732253 | 10.1016/j.ejmech.2019.111853 | C-X-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine