Compound Detail
CHEMBL4538049
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4538049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSUODDTVALGQAK-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.7
MW (Da)
1.37
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.15
Ki 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 8.15 | 7.1575 | 7.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | Ki | = | 0.65 | nM | 9.19 | Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell ... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 7.1 | nM | 8.15 | Agonist activity at human GPR84 expressed in recombinant CHO cells harboring bet... | 38146625 |
| G-protein coupled receptor 84 | EC50 | = | 12.0 | nM | 7.92 | Agonist activity at human GPR84 expressed in CHO-K1 cells assessed as reduction ... | 33267584 |
| G-protein coupled receptor 84 | EC50 | = | 522.0 | nM | 6.28 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 520.0 | nM | 6.28 | Agonist activity at human GPR84 expressed in recombinant CHO cells harboring bet... | 38146625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 3 |
| 33267584 | 10.1021/acs.jmedchem.0c01378 | G-protein coupled receptor 84 | 2 |
| 38146625 | 10.1021/acs.jmedchem.3c00951 | G-protein coupled receptor 84 | 2 |
Data from ChEMBL 36 via Core Engine