Compound Detail
CHEMBL186855
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Basic Information
| ChEMBL ID | CHEMBL186855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVLXVIZBRPTUKG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.0
MW (Da)
2.68
ALogP
5
HBA
2
HBD
64.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.13
EC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 5.13 | 5.13 | 7400.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 7400.0 | nM | 5.13 | Concentration required to inhibit [125I]MCP-1 (Monocyte Chemoattractant Protein-... | 15454235 |
| C-C chemokine receptor type 2 | IC50 | = | 7400.0 | nM | 5.13 | Concentration required to inhibit [125I]MCP-1 binding to Chemokine receptor 2B | 15454236 |
| Unchecked | EC50 | = | 9500.0 | nM | 5.02 | Effective concentration in a chemotaxis assay | 15454235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454235 | 10.1016/j.bmcl.2004.08.008 | C-C chemokine receptor type 2 | 1 |
| 15454235 | 10.1016/j.bmcl.2004.08.008 | Unchecked | 1 |
| 15454236 | 10.1016/j.bmcl.2004.08.009 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine