Compound Detail
CHEMBL2391794
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Basic Information
| ChEMBL ID | CHEMBL2391794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZJPBYOFBQXPKM-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.10
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| C-C chemokine receptor type 1 CHEMBL5499 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 3.2 | nM | 8.49 | Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1a... | 23659855 |
| C-C chemokine receptor type 1 | IC50 | = | 890.0 | nM | 6.05 | Antagonist activity at rat CCR1 | 23659855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659855 | 10.1016/j.bmcl.2013.04.047 | C-C chemokine receptor type 1 | 2 |
| 23659855 | 10.1016/j.bmcl.2013.04.047 | Hepatocyte | 2 |
| 23659855 | 10.1016/j.bmcl.2013.04.047 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine