Compound Detail
CHEMBL470962
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Basic Information
| ChEMBL ID | CHEMBL470962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URRORBHEQPOYJW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
4.46
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 6.32 | 6.02 | 480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 480.0 | nM | 6.32 | Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [... | 18539035 |
| C-C chemokine receptor type 4 | IC50 | = | 1900.0 | nM | 5.72 | Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 ... | 18539035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18539035 | 10.1016/j.bmc.2008.05.036 | C-C chemokine receptor type 4 | 4 |
Data from ChEMBL 36 via Core Engine