Compound Detail
CHEMBL3310838
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COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CN(C(C)=O)C1
Basic Information
| ChEMBL ID | CHEMBL3310838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTXHONUTWZTYJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.4
MW (Da)
2.85
ALogP
6
HBA
2
HBD
113.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 199.53 | nM | 6.7 | Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPga... | 24909677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24909677 | 10.1016/j.bmc.2014.05.021 | C-C chemokine receptor type 4 | 2 |
| 24909677 | 10.1016/j.bmc.2014.05.021 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine