Compound Detail
CHEMBL390706
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CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O
Basic Information
| ChEMBL ID | CHEMBL390706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNARYZLHRCJGBY-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.4
MW (Da)
3.49
ALogP
7
HBA
2
HBD
91.0
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 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 78.0 | nM | 7.11 | Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells | 17446072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17446072 | 10.1016/j.bmcl.2007.03.104 | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine