Compound Detail
CHEMBL3717307
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Basic Information
| ChEMBL ID | CHEMBL3717307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIQHCOKFDZQAES-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
2.15
ALogP
8
HBA
1
HBD
109.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 7.0 | 6.78 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity against GPR84 (unknown origin) expressed in cell membranes a... | - |
| G-protein coupled receptor 84 | IC50 | = | 274.0 | nM | 6.56 | Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T c... | 32902984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32902984 | 10.1021/acs.jmedchem.0c00272 | G-protein coupled receptor 84 | 1 |
Data from ChEMBL 36 via Core Engine