Compound Detail
CHEMBL521737
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Basic Information
| ChEMBL ID | CHEMBL521737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQVJOORGRHBCAX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.7
MW (Da)
4.45
ALogP
8
HBA
2
HBD
83.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL5410 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.52 | 7.26 | 30.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9449.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 19.0 | nM | 7.72 | Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
| C-C chemokine receptor type 4 | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
| C-C chemokine receptor type 4 | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells asse... | 19081254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081254 | 10.1016/j.bmc.2008.11.020 | C-C chemokine receptor type 4 | 3 |
| 19081254 | 10.1016/j.bmc.2008.11.020 | Liver microsomes | 1 |
| 19081254 | 10.1016/j.bmc.2008.11.020 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine