Compound Detail
CHEMBL2419766
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Basic Information
| ChEMBL ID | CHEMBL2419766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOWWWPYFAPQMPE-OAHLLOKOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.98
ALogP
5
HBA
2
HBD
64.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.36 | 6.36 | 436.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.87 | 5.87 | 1349.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.77 | 5.77 | 1698.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.72 | 5.72 | 1905.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 436.52 | nM | 6.36 | Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO... | 23902232 |
| Alpha-1D adrenergic receptor | Ki | = | 1348.96 | nM | 5.87 | Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO... | 23902232 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1698.24 | nM | 5.77 | Displacement of [3H]-8-OHDPAT from 5-HT1A receptor in rat hippocampal membranes ... | 23902232 |
| Alpha-1B adrenergic receptor | Ki | = | 1905.46 | nM | 5.72 | Displacement of [3H]prazosin from human alpha-1B adrenoreceptor expressed in CHO... | 23902232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23902232 | 10.1021/jm400867d | Unchecked | 3 |
| 23902232 | 10.1021/jm400867d | 5-hydroxytryptamine receptor 1A | 1 |
| 23902232 | 10.1021/jm400867d | Alpha-1D adrenergic receptor | 1 |
| 23902232 | 10.1021/jm400867d | Alpha-1B adrenergic receptor | 1 |
| 23902232 | 10.1021/jm400867d | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine