Compound Detail
CHEMBL4540311
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4540311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAOQYXNUSDEVJK-NGBOBVBESA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.68
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 46 CHEMBL4523253 | IC50 | 4.64 | 4.318 | 22900.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 46 | IC50 | = | 22900.0 | nM | 4.64 | Antagonist activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R... | - |
| Taste receptor type 2 member 46 | IC50 | = | 44500.0 | nM | 4.35 | Antagonist activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R... | - |
| Taste receptor type 2 member 46 | IC50 | = | 51400.0 | nM | 4.29 | Antagonist activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R... | - |
| Taste receptor type 2 member 46 | IC50 | = | 57800.0 | nM | 4.24 | Antagonist activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R... | - |
| Taste receptor type 2 member 46 | IC50 | = | 84900.0 | nM | 4.07 | Antagonist activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R... | - |
Data from ChEMBL 36 via Core Engine