Compound Detail
CHEMBL402056
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Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL402056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSVXEYXJYBBTOC-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.00
ALogP
5
HBA
4
HBD
102.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 36.0 | nM | 7.44 | Displacement of [125]MCP1 from CCR2 in human PBMCs | 17720492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17720492 | 10.1016/j.bmcl.2007.07.028 | C-C chemokine receptor type 2 | 1 |
| 17720492 | 10.1016/j.bmcl.2007.07.028 | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine