Compound Detail
CHEMBL3415012
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Basic Information
| ChEMBL ID | CHEMBL3415012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APDVLSKJSJILHD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
60.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 8.28 | 8.28 | 5.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 6.29 | 6.29 | 512.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Kd | = | 5.248 | nM | 8.28 | Antagonist activity at Sprague-Dawley rat thoracic aorta adrenergic alpha-1D rec... | 25874333 |
| Alpha-1A adrenergic receptor | Kd | = | 7.943 | nM | 8.1 | Antagonist activity at Sprague-Dawley rat prostatic vas deferens adrenergic alph... | 25874333 |
| Alpha-1B adrenergic receptor | Kd | = | 512.86 | nM | 6.29 | Antagonist activity at Sprague-Dawley rat spleen adrenergic alpha-1B receptor af... | 25874333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25874333 | 10.1016/j.ejmech.2015.04.005 | Unchecked | 3 |
| 25874333 | 10.1016/j.ejmech.2015.04.005 | Alpha-1A adrenergic receptor | 1 |
| 25874333 | 10.1016/j.ejmech.2015.04.005 | Alpha-1B adrenergic receptor | 1 |
| 25874333 | 10.1016/j.ejmech.2015.04.005 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine