Compound Detail
CHEMBL149452
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Basic Information
| ChEMBL ID | CHEMBL149452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKENENNCVAKUBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
2.25
ALogP
8
HBA
1
HBD
92.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1.81 | nM | 8.74 | Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosi... | 2894465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2894465 | 10.1021/jm00398a006 | Rattus norvegicus | 2 |
| 2894465 | 10.1021/jm00398a006 | Oryctolagus cuniculus | 2 |
| 2894465 | 10.1021/jm00398a006 | Adrenergic receptor alpha-1 | 1 |
| 2894465 | 10.1021/jm00398a006 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine