Compound Detail
CHEMBL2018967
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Basic Information
| ChEMBL ID | CHEMBL2018967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVOPWMBIOVEEKK-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
3.22
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.56
Kd 1 meas. best 5.7
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.56 | 7.56 | 27.5 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | Kd | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 15.85 | nM | 7.8 | Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA | 22437117 |
| C-C chemokine receptor type 4 | IC50 | = | 27.54 | nM | 7.56 | Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibit... | 22437117 |
| C-C chemokine receptor type 4 | Kd | = | 1995.26 | nM | 5.7 | Antagonist activity at human CCR4 in human whole blood assessed as inhibition of... | 22437117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22437117 | 10.1016/j.bmcl.2012.02.104 | C-C chemokine receptor type 4 | 3 |
| 22437117 | 10.1016/j.bmcl.2012.02.104 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine