Compound Detail
CHEMBL381054
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Basic Information
| ChEMBL ID | CHEMBL381054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDEGMTMTRQEPGR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
0.81
ALogP
8
HBA
1
HBD
134.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.19
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 6.19 | 5.25 | 640.0 | 2 |
| Radical scavenging activity CHEMBL613712 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | EC50 | = | 640.0 | nM | 6.19 | Vasodilator activity assessed as ability to relax phenylephrine-induced contract... | 16686532 |
| Radical scavenging activity | IC50 | = | 5400.0 | nM | 5.27 | Antioxidant activity assessed as inhibition of TBARS production in ferrous salt/... | 16686532 |
| Alpha-1D adrenergic receptor | EC50 | = | 49000.0 | nM | 4.31 | 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