Compound Detail
CHEMBL320419
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Basic Information
| ChEMBL ID | CHEMBL320419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIZWZQQKQFIBPD-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
1.63
ALogP
4
HBA
3
HBD
65.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 6.33 | 6.33 | 467.7 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.83 | 5.83 | 1479.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | IC50 | 5.71 | 5.71 | 1949.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 19.95 | nM | 7.7 | Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fi... | 11597419 |
| Alpha-1A adrenergic receptor | IC50 | = | 467.74 | nM | 6.33 | Concentration required for 50% inhibition of binding against Alpha-1A adrenergic... | 11597419 |
| Alpha-1D adrenergic receptor | IC50 | = | 1479.11 | nM | 5.83 | Concentration required for 50% inhibition of binding against human Alpha-1D adre... | 11597419 |
| Alpha-1B adrenergic receptor | IC50 | = | 1949.84 | nM | 5.71 | Concentration required for 50% inhibition of binding against human Alpha-1B 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