Compound Detail
CHEMBL192176
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Basic Information
| ChEMBL ID | CHEMBL192176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEBCPSVFPDGMJX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.04
ALogP
7
HBA
0
HBD
58.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in... | 15887956 |
| Sodium-dependent serotonin transporter | Ki | = | 25.12 | nM | 7.6 | Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptos... | 15887956 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 63.1 | nM | 7.2 | Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expres... | 15887956 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in... | 15887956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887956 | 10.1021/jm049039v | 5-hydroxytryptamine receptor 1A | 1 |
| 15887956 | 10.1021/jm049039v | 5-hydroxytryptamine receptor 1B | 1 |
| 15887956 | 10.1021/jm049039v | 5-hydroxytryptamine receptor 1D | 1 |
| 15887956 | 10.1021/jm049039v | Sodium-dependent serotonin transporter | 1 |
| 15887956 | 10.1021/jm049039v | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine