Compound Detail
CHEMBL146481
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Basic Information
| ChEMBL ID | CHEMBL146481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVRWMAUASFDRIT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
-1.09
ALogP
11
HBA
2
HBD
189.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Kd 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 8.25 | 8.25 | 5.6 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Kd | = | 5.623 | nM | 8.25 | Partial affinity towards Alpha-1 adrenergic receptor was assessed on rat aortic ... | 8523408 |
| Rattus norvegicus | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of vasodilating activity was assessed on the epididymal portion of ra... | 8523408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523408 | 10.1021/jm00025a012 | Rattus norvegicus | 2 |
| 8523408 | 10.1021/jm00025a012 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine