Compound Detail
CHEMBL2153423
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Basic Information
| ChEMBL ID | CHEMBL2153423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZXPYCADSFGDOE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2220978 |
| Active Moiety | CHEMBL2220978 |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.79
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.57
Ki 2 meas. best 9.85
Kd 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 10.6 | 10.6 | 0.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 9.57 | 9.57 | 0.3 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Kd | = | 0.02512 | nM | 10.6 | Antagonist activity at adrenergic alpha 1D receptor in rat thoracic aorta assess... | 21549456 |
| Alpha-1A adrenergic receptor | Ki | = | 0.14 | nM | 9.85 | Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A recepto... | 21549456 |
| Alpha-1A adrenergic receptor | IC50 | = | 0.2692 | nM | 9.57 | Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A recepto... | 21549456 |
| Alpha-1B adrenergic receptor | Ki | = | 5.55 | nM | 8.26 | Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45... | 21549456 |
| Alpha-1B adrenergic receptor | IC50 | = | 6.026 | nM | 8.22 | Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45... | 21549456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21549456 | 10.1016/j.ejmech.2011.04.032 | Alpha-1D adrenergic receptor | 5 |
| 21549456 | 10.1016/j.ejmech.2011.04.032 | Alpha-1A adrenergic receptor | 4 |
| 21549456 | 10.1016/j.ejmech.2011.04.032 | Alpha-1B adrenergic receptor | 2 |
| 21549456 | 10.1016/j.ejmech.2011.04.032 | Oryctolagus cuniculus | 1 |
| 21549456 | 10.1016/j.ejmech.2011.04.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine