Compound Detail
CHEMBL337078
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Basic Information
| ChEMBL ID | CHEMBL337078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KULSGZOFQQANMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.09
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.21 | 6.21 | 616.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.7943 | nM | 9.1 | Binding affinity at 5-hydroxytryptamine 1A receptor | 7562940 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 616.6 | nM | 6.21 | Binding affinity at 5-hydroxytryptamine 1B receptor | 7562940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562940 | 10.1021/jm00020a020 | Rattus norvegicus | 5 |
| 7562940 | 10.1021/jm00020a020 | 5-hydroxytryptamine receptor 1A | 1 |
| 7562940 | 10.1021/jm00020a020 | 5-hydroxytryptamine receptor 1B | 1 |
| 7562940 | 10.1021/jm00020a020 | Unchecked | 1 |
| 7562940 | 10.1021/jm00020a020 | Adrenergic receptor alpha-1 | 1 |
| 7562940 | 10.1021/jm00020a020 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine