Compound Detail
CHEMBL200794
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CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12
Basic Information
| ChEMBL ID | CHEMBL200794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRBMEVHKZWOUBG-CQSZACIVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.9
MW (Da)
4.27
ALogP
3
HBA
2
HBD
68.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 8.02 | 6.7567 | 9.6 | 3 |
| C-C chemokine receptor type 1 CHEMBL3872 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 9.6 | nM | 8.02 | Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium ... | 16198561 |
| C-C chemokine receptor type 1 | IC50 | = | 560.0 | nM | 6.25 | Antagonistic activity at human CCR1 in CHO-K1 cells | 16198561 |
| C-C chemokine receptor type 1 | IC50 | = | 1000.0 | nM | 6.0 | Antagonistic activity at rat CCR1 in CHO-K1 cells | 16198561 |
| C-C chemokine receptor type 1 | IC50 | = | 3000.0 | nM | 5.52 | Antagonistic activity at mouse CCR1 in CHO-K1 cells | 16198561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16198561 | 10.1016/j.bmcl.2005.08.057 | C-C chemokine receptor type 1 | 4 |
Data from ChEMBL 36 via Core Engine