Compound Detail
CHEMBL334465
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Basic Information
| ChEMBL ID | CHEMBL334465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZRQHWJXDADERL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.5
MW (Da)
5.12
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.57 | 5.57 | 2675.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 150.0 | nM | 6.82 | Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal t... | 2539480 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 2675.0 | nM | 5.57 | Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor | 9435911 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 9000.0 | nM | 5.05 | Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal memb... | 2539480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2539480 | 10.1021/jm00124a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 2539480 | 10.1021/jm00124a021 | 5-hydroxytryptamine receptor 1B | 1 |
| 2539480 | 10.1021/jm00124a021 | Adrenergic receptor beta | 1 |
| 9435911 | 10.1021/jm970507t | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine