Compound Detail
CHEMBL209263
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Basic Information
| ChEMBL ID | CHEMBL209263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWJDHZVOOKZGCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.89
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Monocyte CHEMBL614076 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 32.0 | nM | 7.5 | Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells | 16698264 |
| Monocyte | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of MCP1-induced chemotaxis of human monocytes | 16698264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16698264 | 10.1016/j.bmcl.2006.04.045 | Monocyte | 1 |
| 16698264 | 10.1016/j.bmcl.2006.04.045 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine