Compound Detail
CHEMBL57999
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Basic Information
| ChEMBL ID | CHEMBL57999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNIYVMWQXYYOIY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 7.9 | 7.9 | 12.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.37 | nM | 8.47 | Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H... | 15055991 |
| Alpha-1D adrenergic receptor | Ki | = | 12.66 | nM | 7.9 | Binding affinity to the adrenergic receptor alpha-1D of rat aorta | 15055991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055991 | 10.1021/jm030944+ | Alpha-1A adrenergic receptor | 1 |
| 15055991 | 10.1021/jm030944+ | Alpha-1B adrenergic receptor | 1 |
| 15055991 | 10.1021/jm030944+ | Alpha-1D adrenergic receptor | 1 |
| 15055991 | 10.1021/jm030944+ | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine