Compound Detail
CHEMBL3797662
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Basic Information
| ChEMBL ID | CHEMBL3797662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTNGTZQKTPMVEY-UHFFFAOYSA-N |
1
Targets
4
Activities
4
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
4.46
ALogP
6
HBA
1
HBD
47.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas. best 8.1
Kd 1 meas. best 6.0
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 1.0 | nM | 9.0 | Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell me... | 26991939 |
| C-C chemokine receptor type 4 | IC50 | = | 7.943 | nM | 8.1 | Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay | 26991939 |
| C-C chemokine receptor type 4 | EC50 | = | 158.49 | nM | 6.8 | Induction of CCR4 internalisation in human HUT78 cells after 30 mins by flow cyt... | 26991939 |
| C-C chemokine receptor type 4 | Kd | = | 1000.0 | nM | 6.0 | Antagonist activity at CCR4 in human PBMC assessed as inhibition of actin polyme... | 26991939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26991939 | 10.1016/j.ejmech.2016.02.058 | C-C chemokine receptor type 4 | 5 |
| 26991939 | 10.1016/j.ejmech.2016.02.058 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine