Compound Detail
CHEMBL327005
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Basic Information
| ChEMBL ID | CHEMBL327005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUOSOWBVNOKBLO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.72
ALogP
5
HBA
1
HBD
59.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 6.31 | nM | 8.2 | Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts | 12419381 |
| Alpha-1B adrenergic receptor | EC50 | = | 100.0 | nM | 7.0 | Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts | 12419381 |
| Alpha-1D adrenergic receptor | EC50 | = | 100.0 | nM | 7.0 | Activation of human Alpha-1D adrenergic receptors expressed in rat-1 fibroblasts | 12419381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1A adrenergic receptor | 2 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1B adrenergic receptor | 2 |
| 12419381 | 10.1016/s0960-894x(02)00753-9 | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine