Compound Detail
CHEMBL51895
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COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1
Basic Information
| ChEMBL ID | CHEMBL51895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQFOIENCGNAPLN-UXBLZVDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
6.66
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | Ki | = | 590.0 | nM | 6.23 | Antagonist activity against C-C chemokine receptor type 2 | 10969972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969972 | 10.1016/s0960-894x(00)00347-4 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine