Compound Detail
CHEMBL207967
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Basic Information
| ChEMBL ID | CHEMBL207967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUNBYSUWZKSKST-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
0.79
ALogP
6
HBA
1
HBD
115.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.89
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 6.89 | 5.54 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | EC50 | = | 130.0 | nM | 6.89 | Vasodilator activity assessed as ability to relax phenylephrine-induced contract... | 16686532 |
| Alpha-1D adrenergic receptor | EC50 | = | 65000.0 | nM | 4.19 | Vasodilator activity assessed as ability to relax phenylephrine-induced contract... | 16686532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686532 | 10.1021/jm0510530 | Alpha-1D adrenergic receptor | 2 |
| 16686532 | 10.1021/jm0510530 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine