Compound Detail
CHEMBL70740
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Basic Information
| ChEMBL ID | CHEMBL70740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAXAHQBOIDNYSY-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
0.82
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.21
EC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.21 | 6.21 | 616.6 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.67 | 5.67 | 2138.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.57 | 5.57 | 2691.5 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 616.6 | nM | 6.21 | Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techni... | 12014961 |
| Alpha-2A adrenergic receptor | Ki | = | 794.33 | nM | 6.1 | Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding... | 12014961 |
| Alpha-1B adrenergic receptor | Ki | = | 2137.96 | nM | 5.67 | Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding... | 12014961 |
| Alpha-2C adrenergic receptor | Ki | = | 2691.53 | nM | 5.57 | Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding... | 12014961 |
| Alpha-2C adrenergic receptor | EC50 | = | 6309.57 | nM | 5.2 | Agonist potency at Alpha-2C adrenergic receptor assayed in CHO cells expressing ... | 12014961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014961 | 10.1021/jm000542r | Alpha-1A adrenergic receptor | 3 |
| 12014961 | 10.1021/jm000542r | Alpha-1B adrenergic receptor | 3 |
| 12014961 | 10.1021/jm000542r | Alpha-2A adrenergic receptor | 3 |
| 12014961 | 10.1021/jm000542r | Alpha-2C adrenergic receptor | 3 |
| 12014961 | 10.1021/jm000542r | Alpha-1D adrenergic receptor | 2 |
| 12014961 | 10.1021/jm000542r | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine