Compound Detail
CHEMBL490162
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Basic Information
| ChEMBL ID | CHEMBL490162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGCZWOGVHOOOEO-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.37
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 31 CHEMBL2034804 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 31 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing c... | 21650152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1593282 | 10.1021/np50081a012 | Unchecked | 1 |
| 21650152 | 10.1021/np200391c | Taste receptor type 2 member 31 | 1 |
Data from ChEMBL 36 via Core Engine