Compound Detail
CHEMBL2004471
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Basic Information
| ChEMBL ID | CHEMBL2004471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYZJYKOZGGEXSX-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
244.4
MW (Da)
3.74
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.41
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 6.5 | 6.5 | 318.0 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 5.41 | 5.385 | 3860.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | Ki | = | 318.0 | nM | 6.5 | Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell ... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 3860.0 | nM | 5.41 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 4360.0 | nM | 5.36 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 5 |
Data from ChEMBL 36 via Core Engine