Compound Detail
CHEMBL3898835
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Basic Information
| ChEMBL ID | CHEMBL3898835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJQAOEQHRDWIDX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
2.34
ALogP
6
HBA
0
HBD
81.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 8 CHEMBL3988599 | IC50 | 6.75 | 6.725 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 8 | IC50 | = | 180.0 | nM | 6.75 | Fluorescence Polarization Assays: In another embodiment, Fluorescence Polarizati... | - |
| Taste receptor type 2 member 8 | IC50 | = | 200.0 | nM | 6.7 | Antagonist activity at recombinant human TAS2R8 stably expressed in cells co-exp... | 32330040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32330040 | 10.1021/acs.jmedchem.0c00388 | No relevant target | 3 |
| 32330040 | 10.1021/acs.jmedchem.0c00388 | Taste receptor type 2 member 8 | 1 |
Data from ChEMBL 36 via Core Engine