Compound Detail
CHEMBL220652
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CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C(CC)c3ccccc3)c3ccccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL220652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAELIZCZGHKYIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.7
MW (Da)
5.04
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.41
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 8 CHEMBL4596 | IC50 | 8.12 | 8.12 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 8 | IC50 | = | 7.65 | nM | 8.12 | Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed ... | 17266208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266208 | 10.1021/jm061118e | C-C chemokine receptor type 8 | 1 |
Data from ChEMBL 36 via Core Engine