Compound Detail
CHEMBL372399
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Basic Information
| ChEMBL ID | CHEMBL372399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCCQLHNQKMWFL-GOSISDBHSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
3.19
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Kd 1 meas. best 6.76
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 8.1 | 7.424 | 7.9 | 5 |
| C-C chemokine receptor type 4 CHEMBL2414 | Kd | 6.76 | 6.76 | 173.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 2.512 | nM | 8.6 | 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 | IC50 | = | 10.0 | nM | 8.0 | Calcium mobilization mediated by CCR4 receptor in CEMS529 cells by FLIPR | 16236499 |
| C-C chemokine receptor type 4 | IC50 | = | 50.0 | nM | 7.3 | Displacement of [125I]TARC from human CCR4 receptor transfected in HEK293 cells | 16236499 |
| C-C chemokine receptor type 4 | IC50 | = | 50.0 | nM | 7.3 | Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells | 17098428 |
| C-C chemokine receptor type 4 | Kd | = | 173.78 | nM | 6.76 | Antagonist activity at CCR4 in human PBMC assessed as inhibition of actin polyme... | 26991939 |
| C-C chemokine receptor type 4 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of chemotaxis of murine CCR4 transfected L1.2 cells | 16236499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16236499 | 10.1016/j.bmcl.2005.09.022 | C-C chemokine receptor type 4 | 3 |
| 26991939 | 10.1016/j.ejmech.2016.02.058 | C-C chemokine receptor type 4 | 3 |
| 16236499 | 10.1016/j.bmcl.2005.09.022 | L1.2 | 1 |
| 16236499 | 10.1016/j.bmcl.2005.09.022 | Mus musculus | 1 |
| 17098428 | 10.1016/j.bmcl.2006.10.091 | C-C chemokine receptor type 4 | 1 |
| 26991939 | 10.1016/j.ejmech.2016.02.058 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine