Compound Detail
CHEMBL291165
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Basic Information
| ChEMBL ID | CHEMBL291165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXATVBWBMADIMC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.63
ALogP
4
HBA
0
HBD
47.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.87 | 5.87 | 1349.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1349.0 | nM | 5.87 | Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-O... | 9171874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00081-9 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00081-9 | Adrenergic receptor alpha-1 | 1 |
| 9171874 | 10.1021/jm960744g | 5-hydroxytryptamine receptor 1A | 1 |
| 8893838 | 10.1021/jm960416g | 5-hydroxytryptamine receptor 1A | 1 |
| 8893838 | 10.1021/jm960416g | Adrenergic receptor alpha-1 | 1 |
| 8893838 | 10.1021/jm960416g | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine