Compound Detail
CHEMBL50979
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Basic Information
| ChEMBL ID | CHEMBL50979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTGBSMQDPBYDKC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
1.36
ALogP
11
HBA
1
HBD
121.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 0.16 | nM | 9.8 | Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-praz... | 2888896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2888896 | 10.1021/jm00393a019 | Rattus norvegicus | 2 |
| 2888896 | 10.1021/jm00393a019 | Adrenergic receptor alpha-1 | 1 |
| 2888896 | 10.1021/jm00393a019 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine