Compound Detail
CHEMBL2018952
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Basic Information
| ChEMBL ID | CHEMBL2018952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLFCJHOGZMGVGN-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.0
MW (Da)
3.71
ALogP
7
HBA
2
HBD
116.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Kd 1 meas. best 5.8
Ki 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | Kd | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 39.81 | nM | 7.4 | Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA | 22437117 |
| C-C chemokine receptor type 4 | IC50 | = | 54.95 | nM | 7.26 | Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibit... | 22437117 |
| C-C chemokine receptor type 4 | Kd | = | 1584.89 | nM | 5.8 | 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