Compound Detail
CHEMBL93736
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Basic Information
| ChEMBL ID | CHEMBL93736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOMKHUXPIGUJJZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
2.42
ALogP
6
HBA
1
HBD
60.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.9
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Alpha-1A adrenergic receptor CHEMBL3637 | Kd | 7.9 | 7.9 | 12.6 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.7943 | nM | 9.1 | In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrener... | 9276013 |
| Alpha-1A adrenergic receptor | Kd | = | 12.59 | nM | 7.9 | Antagonistic activity against alpha 1A/1L receptor was assessed in a rabbit blad... | 9276013 |
| Alpha-1D adrenergic receptor | Kd | = | 50.12 | nM | 7.3 | 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 | 2 |
| 9276013 | 10.1021/jm970166j | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine