Compound Detail
CHEMBL385108
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Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCCCC3)CC2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL385108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBNXUTMILCXSPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
4.75
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 8 CHEMBL4596 | Ki | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 8 | Ki | = | 4.2 | nM | 8.38 | Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay | 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