Compound Detail
CHEMBL3924866
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Basic Information
| ChEMBL ID | CHEMBL3924866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLJBKECMPVCSDS-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
2.21
ALogP
7
HBA
1
HBD
104.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
EC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 8 CHEMBL3988599 | IC50 | 7.7 | 7.56 | 20.0 | 3 |
| Taste receptor type 2 member 14 CHEMBL3309105 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 8 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at recombinant human TAS2R8 stably expressed in cells co-exp... | 32330040 |
| Taste receptor type 2 member 8 | IC50 | = | 30.0 | nM | 7.52 | HTS assay: To determine the effectiveness of an individual antagonist, taste tes... | - |
| Taste receptor type 2 member 8 | IC50 | = | 35.0 | nM | 7.46 | Fluorescence Polarization Assays: In another embodiment, Fluorescence Polarizati... | - |
| Taste receptor type 2 member 14 | EC50 | = | 40000.0 | nM | 4.4 | Agonist activity at TAS2R14 (unknown origin) by stably expressed cell-based assa... | 32330040 |
Literature References
Data from ChEMBL 36 via Core Engine