Compound Detail
CHEMBL319553
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Basic Information
| ChEMBL ID | CHEMBL319553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZXBSTCCARQDBM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
1.67
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.65
EC50 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 8.5 | 8.5 | 3.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 6.65 | 6.65 | 223.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 5.75 | 5.75 | 1778.3 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 3.162 | nM | 8.5 | Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fi... | 11597419 |
| Alpha-1A adrenergic receptor | IC50 | = | 223.87 | nM | 6.65 | Concentration required for 50% inhibition of binding against Alpha-1A adrenergic... | 11597419 |
| Alpha-1B adrenergic receptor | IC50 | = | 1778.28 | nM | 5.75 | Concentration required for 50% inhibition of binding against human Alpha-1B adre... | 11597419 |
| Alpha-1D adrenergic receptor | IC50 | = | 1995.26 | nM | 5.7 | Concentration required for 50% inhibition of binding against human Alpha-1D adre... | 11597419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1A adrenergic receptor | 3 |
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1B adrenergic receptor | 2 |
| 11597419 | 10.1016/s0960-894x(01)00569-8 | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine