Compound Detail
CHEMBL435499
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Basic Information
| ChEMBL ID | CHEMBL435499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWZJJBPBNGCRNL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.9
MW (Da)
4.12
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | EC50 | = | 40.0 | nM | 7.4 | Inhibition of MCP-1 induced chemotaxis in THP-1 cells | 15454236 |
| C-C chemokine receptor type 2 | IC50 | = | 700.0 | nM | 6.16 | Concentration required to inhibit [125I]MCP-1 binding to Chemokine receptor 2B | 15454236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454236 | 10.1016/j.bmcl.2004.08.009 | C-C chemokine receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine