Compound Detail
CHEMBL2079655
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Basic Information
| ChEMBL ID | CHEMBL2079655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FACJCZHMOYUSSW-CYBMUJFWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
0.92
ALogP
8
HBA
3
HBD
114.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 5.98 | 5.98 | 1050.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 5.65 | 5.65 | 2250.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 1050.0 | nM | 5.98 | Compound was evaluated for its ability to displace [125I]HEAT binding from rat A... | 9548811 |
| Alpha-1D adrenergic receptor | Ki | = | 2250.0 | nM | 5.65 | Compound was evaluated for its ability to displace [125I]HEAT binding from rat A... | 9548811 |
| Alpha-1A adrenergic receptor | Ki | = | 2900.0 | nM | 5.54 | Compound was evaluated for its ability to displace [125I]HEAT binding from rat A... | 9548811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9548811 | 10.1021/jm980053f | Alpha-1A adrenergic receptor | 1 |
| 9548811 | 10.1021/jm980053f | Alpha-1B adrenergic receptor | 1 |
| 9548811 | 10.1021/jm980053f | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine