Compound Detail
CHEMBL209411
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CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL209411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMDOKFVLDOQFCF-HUDRSLDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
5.10
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 10.0 | nM | 8.0 | Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells | 16698264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16698264 | 10.1016/j.bmcl.2006.04.045 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine