Compound Detail
CHEMBL186984
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL186984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUWPHDORDLMGPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
2.34
ALogP
5
HBA
3
HBD
73.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 41000.0 | nM | 4.39 | 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 | 1 |
Data from ChEMBL 36 via Core Engine