Compound Detail
CHEMBL5179345
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Basic Information
| ChEMBL ID | CHEMBL5179345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLKDLZBJSBFRQN-SECBINFHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.05
ALogP
6
HBA
2
HBD
58.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 4.76 | 4.66 | 17170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 17170.0 | nM | 4.76 | Binding affinity to human CXCR2 expressed in human U87 cells assessed as inhibit... | 35313168 |
| C-X-C chemokine receptor type 2 | IC50 | = | 24670.0 | nM | 4.61 | Binding affinity to human CXCR2 expressed in human U87 cells assessed as inhibit... | 35313168 |
| C-X-C chemokine receptor type 2 | IC50 | = | 24670.0 | nM | 4.61 | Antagonist activity at CXCR2 in human CD4 cells by fluorescence based calcium mo... | 36924670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35313168 | 10.1016/j.ejmech.2022.114268 | C-X-C chemokine receptor type 2 | 2 |
| 36924670 | 10.1016/j.ejmech.2023.115240 | C-X-C chemokine receptor type 2 | 1 |
| 36924670 | 10.1016/j.ejmech.2023.115240 | C-C chemokine receptor type 7 | 1 |
Data from ChEMBL 36 via Core Engine