Compound Detail
CHEMBL317555
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Basic Information
| ChEMBL ID | CHEMBL317555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSEKFOIGJKOAJY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
2.39
ALogP
6
HBA
2
HBD
86.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.84 | 7.84 | 14.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 14.45 | nM | 7.84 | In vitro binding affinity at human Alpha-1B adrenergic receptor. | 12825930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825930 | 10.1021/jm0307741 | Alpha-1A adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1B adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine