Compound Detail
CHEMBL4095532
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Basic Information
| ChEMBL ID | CHEMBL4095532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPBZIPBVCXKOPG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
4.25
ALogP
1
HBA
2
HBD
40.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 6.3 | 5.7367 | 495.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | EC50 | = | 495.0 | nM | 6.3 | Positive allosteric modulation of recombinant human GPR84 expressed in CHO cell ... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 1890.0 | nM | 5.72 | Agonist activity at Gi coupled human GPR84 expressed in CHO cells assessed as in... | 28406627 |
| G-protein coupled receptor 84 | EC50 | = | 6470.0 | nM | 5.19 | Agonist activity at human GPR84 expressed in CHO cells assessed as beta-arrestin... | 28406627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 4 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 2 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine