Compound Detail
CHEMBL88181
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Basic Information
| ChEMBL ID | CHEMBL88181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWQSDGXLSKTXKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
3.70
ALogP
5
HBA
0
HBD
36.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL3637 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Kd | = | 1.995 | nM | 8.7 | Antagonistic activity against alpha 1A/1L receptor was assessed in a rabbit blad... | 9276013 |
| Alpha-1D adrenergic receptor | Kd | = | 12.59 | nM | 7.9 | Antagonistic activity against rat aorta for affinity estimates representative of... | 9276013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276013 | 10.1021/jm970166j | Alpha-1A adrenergic receptor | 1 |
| 9276013 | 10.1021/jm970166j | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine