Compound Detail
CHEMBL134428
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Basic Information
| ChEMBL ID | CHEMBL134428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STBHTUOPFMOXDX-XNFNUYLZSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.39
ALogP
5
HBA
2
HBD
60.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.79 | 7.79 | 16.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.65 | 7.65 | 22.4 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.11 | 7.11 | 77.6 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.03 | 7.03 | 93.3 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.21 | 5.21 | 6165.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 16.22 | nM | 7.79 | Displacement of [3H]prazosin from human cloned Alpha-1D adrenergic receptor | 10514291 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 22.39 | nM | 7.65 | Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxyt... | 10514291 |
| Alpha-1A adrenergic receptor | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]prazosin from human cloned Alpha-1A adrenergic receptor | 10514291 |
| Alpha-1B adrenergic receptor | Ki | = | 93.33 | nM | 7.03 | Displacement of [3H]prazosin from human cloned Alpha-1B adrenergic receptor | 10514291 |
| Adrenergic receptor alpha-2 | Ki | = | 537.03 | nM | 6.27 | Displacement of [3H]rauwolscine from rat brain Alpha-2 adrenergic receptor | 10514291 |
| D(2) dopamine receptor | Ki | = | 6165.95 | nM | 5.21 | Displacement of [3H]spiperone from rat brain Dopamine receptor D2 | 10514291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514291 | 10.1021/jm991065j | 5-hydroxytryptamine receptor 1A | 3 |
| 10514291 | 10.1021/jm991065j | Alpha-1A adrenergic receptor | 2 |
| 10514291 | 10.1021/jm991065j | Alpha-1B adrenergic receptor | 2 |
| 10514291 | 10.1021/jm991065j | Alpha-1D adrenergic receptor | 2 |
| 10514291 | 10.1021/jm991065j | Adrenergic receptor alpha-2 | 1 |
| 10514291 | 10.1021/jm991065j | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine