Compound Detail
CHEMBL4288936
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Basic Information
| ChEMBL ID | CHEMBL4288936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUCMKTPAZLSKTL-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
2.96
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.88
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 5.88 | 5.385 | 1310.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell ... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 1310.0 | nM | 5.88 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 3250.0 | nM | 5.49 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 5248.07 | nM | 5.28 | Agonist activity at N-terminal FLAG-tagged/C-terminal eYFP-fused human GPR84 exp... | 30108848 |
| G-protein coupled receptor 84 | EC50 | = | 13000.0 | nM | 4.89 | Agonist activity at human Gialpha-coupled GPR84 expressed in baculovirus infecte... | 33267584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 5 |
| 30108848 | 10.1039/C7MD00130D | Free fatty acid receptor 1 | 2 |
| 30108848 | 10.1039/C7MD00130D | G-protein coupled receptor 84 | 1 |
| 30108848 | 10.1039/C7MD00130D | Free fatty acid receptor 4 | 1 |
| 33267584 | 10.1021/acs.jmedchem.0c01378 | G-protein coupled receptor 84 | 1 |
Data from ChEMBL 36 via Core Engine