Compound Detail
CHEMBL4063898
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Basic Information
| ChEMBL ID | CHEMBL4063898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJCSYGCYBUOJMI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
5.58
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.22
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 5.22 | 5.22 | 6070.0 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.05 | 5.05 | 8810.0 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | EC50 | = | 6070.0 | nM | 5.22 | Agonist activity at human GPR84 expressed in CHO cells assessed as beta-arrestin... | 28406627 |
| Free fatty acid receptor 1 | EC50 | = | 8810.0 | nM | 5.05 | Antagonist activity at Gq protein coupled human FFAR1 expressed in human 1321N1 ... | 28406627 |
| G-protein coupled receptor 84 | IC50 | = | 22400.0 | nM | 4.65 | Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell ... | 31721581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 5 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 2 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 1 |
Data from ChEMBL 36 via Core Engine