Compound Detail
CHEMBL5273955
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Basic Information
| ChEMBL ID | CHEMBL5273955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADYZEYUMYXAEPW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
4.13
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.8
EC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 14 CHEMBL3309105 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 14 | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 a... | 36847646 |
| Alpha-2B adrenergic receptor | Ki | = | 16000.0 | nM | 4.8 | Displacement of [3H]RX821002 from human alpha2B receptor stably expressed in HEK... | 36847646 |
| Alpha-2C adrenergic receptor | Ki | = | 17000.0 | nM | 4.77 | Displacement of [3H]RX821002 from human alpha2C receptor stably expressed in HEK... | 36847646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36847646 | 10.1021/acs.jmedchem.2c01997 | Taste receptor type 2 member 14 | 2 |
| 36847646 | 10.1021/acs.jmedchem.2c01997 | Alpha-2B adrenergic receptor | 1 |
| 36847646 | 10.1021/acs.jmedchem.2c01997 | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine