Compound Detail
CHEMBL270959
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
Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL270959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVHPQIOWPGMWFS-RBUKOAKNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
1.52
ALogP
6
HBA
5
HBD
173.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 8.32 | 7.72 | 4.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 4.8 | nM | 8.32 | Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induce... | 18232650 |
| C-C chemokine receptor type 2 | IC50 | = | 23.0 | nM | 7.64 | Displacement of radiolabeled MCP1 from human CCR2 in PBMCs | 18232650 |
| C-C chemokine receptor type 2 | IC50 | = | 63.0 | nM | 7.2 | Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis | 18232650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18232650 | 10.1021/jm701488f | C-C chemokine receptor type 2 | 3 |
| 18232650 | 10.1021/jm701488f | C-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine