Compound Detail
CHEMBL539600
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Basic Information
| ChEMBL ID | CHEMBL539600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RROSRJZCIWMXJC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189870 |
| Active Moiety | CHEMBL1189870 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.5
MW (Da)
3.82
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 1120.0 | nM | 5.95 | Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver memb... | 16723224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16723224 | 10.1016/j.bmcl.2006.05.002 | Alpha-1A adrenergic receptor | 1 |
| 16723224 | 10.1016/j.bmcl.2006.05.002 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine