Compound Detail
CHEMBL324287
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Basic Information
| ChEMBL ID | CHEMBL324287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGNFGNOCBIOZCU-JOCHJYFZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.50
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.43 | 7.425 | 37.0 | 2 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 6.68 | 6.68 | 209.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 37.0 | nM | 7.43 | Displacement of [3H]5-HT binding from the cloned human 5-hydroxytryptamine 1D re... | 10052975 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 38.0 | nM | 7.42 | Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor... | 9357514 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 210.0 | nM | 6.68 | Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by... | 9357514 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 209.0 | nM | 6.68 | Displacement of [3H]5-HT binding from the cloned human 5-hydroxytryptamine 1B re... | 10052975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357514 | 10.1021/jm9704558 | 5-hydroxytryptamine receptor 1D | 1 |
| 9357514 | 10.1021/jm9704558 | 5-hydroxytryptamine receptor 1B | 1 |
| 9357514 | 10.1021/jm9704558 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
| 10052975 | 10.1021/jm9805687 | 5-hydroxytryptamine receptor 1D | 1 |
| 10052975 | 10.1021/jm9805687 | 5-hydroxytryptamine receptor 1B | 1 |
| 10052975 | 10.1021/jm9805687 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine