Compound Detail
CHEMBL5409317
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Basic Information
| ChEMBL ID | CHEMBL5409317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLDWSTIIQZUYIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.38
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 5.06 | 5.06 | 8780.0 | 1 |
| C-C chemokine receptor type 7 CHEMBL4594 | IC50 | 4.76 | 4.76 | 17200.0 | 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 | = | 8780.0 | nM | 5.06 | Antagonist activity at CXCR2 in human CD4 cells by fluorescence based calcium mo... | 36924670 |
| C-C chemokine receptor type 7 | IC50 | = | 17200.0 | nM | 4.76 | Antagonist activity at CCR7 in human CD4 cells by fluorescence based calcium mob... | 36924670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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