Compound Detail
CHEMBL3717743
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Basic Information
| ChEMBL ID | CHEMBL3717743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWACCCXIIBRQDS-QGZVFWFLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
2.10
ALogP
10
HBA
0
HBD
110.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 11.0 | 8.3675 | 0.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | IC50 | = | 0.01 | nM | 11.0 | Antagonist activity against GPR84 (unknown origin) expressed in cell membranes i... | - |
| G-protein coupled receptor 84 | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at recombinant human N-terminal epitope tagged/eYFP-fused FL... | 33267584 |
| G-protein coupled receptor 84 | IC50 | = | 28.0 | nM | 7.55 | Antagonist activity at recombinant human N-terminal epitope tagged/eYFP-fused FL... | 33267584 |
| G-protein coupled receptor 84 | IC50 | = | 86.0 | nM | 7.07 | Antagonist activity at recombinant human N-terminal epitope tagged/eYFP-fused FL... | 33267584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33267584 | 10.1021/acs.jmedchem.0c01378 | G-protein coupled receptor 84 | 3 |
Data from ChEMBL 36 via Core Engine