Compound Detail
CHEMBL3890731
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Basic Information
| ChEMBL ID | CHEMBL3890731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNTRSYYXQUNGEA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.50
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 8 CHEMBL3988599 | IC50 | 6.1 | 6.09 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 8 | IC50 | = | 800.0 | nM | 6.1 | Antagonist activity at recombinant human TAS2R8 stably expressed in cells co-exp... | 32330040 |
| Taste receptor type 2 member 8 | IC50 | = | 830.0 | nM | 6.08 | Fluorescence Polarization Assays: In another embodiment, Fluorescence Polarizati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32330040 | 10.1021/acs.jmedchem.0c00388 | Taste receptor type 2 member 8 | 1 |
Data from ChEMBL 36 via Core Engine