Compound Detail
CHEMBL1182191
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Basic Information
| ChEMBL ID | CHEMBL1182191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTIFDGAFLVKAPS-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.39
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 25.12 | nM | 7.6 | Antagonist activity at human alpha A1 adrenoreceptor expressed in CHO cells | 32502862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32502862 | 10.1016/j.ejmech.2020.112419 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine