Compound Detail
CHEMBL389293
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C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O
Basic Information
| ChEMBL ID | CHEMBL389293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDFCCOBGVDQLRB-FUVBFXSKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.9
MW (Da)
3.15
ALogP
6
HBA
2
HBD
95.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 8.22 | 8.185 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 6.0 | nM | 8.22 | Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on ... | 17446072 |
| C-C chemokine receptor type 1 | IC50 | = | 7.0 | nM | 8.15 | 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 | 2 |
Data from ChEMBL 36 via Core Engine