Compound Detail
CHEMBL70563
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Basic Information
| ChEMBL ID | CHEMBL70563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNPCNKHTEISXAL-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
1.16
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.34
EC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.34 | 6.34 | 457.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 6.29 | 6.29 | 512.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.19 | 6.19 | 645.6 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.06 | 6.06 | 871.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 457.09 | nM | 6.34 | Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techni... | 12014961 |
| Alpha-1A adrenergic receptor | EC50 | = | 512.86 | nM | 6.29 | Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expr... | 12014961 |
| Alpha-1B adrenergic receptor | Ki | = | 645.65 | nM | 6.19 | Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding... | 12014961 |
| Alpha-1D adrenergic receptor | Ki | = | 870.96 | nM | 6.06 | Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding... | 12014961 |
| Alpha-2C adrenergic receptor | Ki | = | 3981.07 | nM | 5.4 | Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding... | 12014961 |
| Alpha-2A adrenergic receptor | Ki | = | 5011.87 | nM | 5.3 | Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding... | 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-1D 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-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine