Compound Detail
CHEMBL419622
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Basic Information
| ChEMBL ID | CHEMBL419622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMTWLAJDIWAHBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
1.34
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.59 | 6.59 | 258.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 258.0 | nM | 6.59 | Alpha-1 adrenergic receptor binding affinity of the compound, value taken from l... | 11405649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405649 | 10.1021/jm010821u | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine