Compound Detail
CHEMBL374939
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Basic Information
| ChEMBL ID | CHEMBL374939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOBUISIPHBRTPI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
4.47
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 8 CHEMBL4596 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| C-C chemokine receptor type 8 CHEMBL4596 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 51.67 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 8 | IC50 | = | 0.3 | nM | 9.52 | Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed ... | 17266208 |
| C-C chemokine receptor type 8 | Ki | = | 0.3 | nM | 9.52 | 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 | Caco-2 | 4 |
| 17266208 | 10.1021/jm061118e | C-C chemokine receptor type 8 | 2 |
Data from ChEMBL 36 via Core Engine