Compound Detail
CHEMBL220650
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Basic Information
| ChEMBL ID | CHEMBL220650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMALLKDAYQZLAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.43
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 8 CHEMBL4596 | IC50 | 6.84 | 6.84 | 144.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 8 | IC50 | = | 144.5 | nM | 6.84 | 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