Compound Detail
CHEMBL215759
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
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1
Basic Information
| ChEMBL ID | CHEMBL215759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNMQSFGXHMQIMW-DEOSSOPVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
6.64
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.40
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 6.89 | 6.715 | 129.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 129.0 | nM | 6.89 | Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells | 16870431 |
| C-C chemokine receptor type 2 | IC50 | = | 285.0 | nM | 6.54 | Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells | 16870431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870431 | 10.1016/j.bmcl.2006.07.011 | C-C chemokine receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine