Compound Detail
CHEMBL190298
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Basic Information
| ChEMBL ID | CHEMBL190298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGBDLJIVZVBTAG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.62
ALogP
5
HBA
1
HBD
57.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 0.2512 | nM | 9.6 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in... | 15887956 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 63.1 | nM | 7.2 | Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in... | 15887956 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expres... | 15887956 |
| Sodium-dependent serotonin transporter | Ki | = | 794.33 | nM | 6.1 | Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptos... | 15887956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887956 | 10.1021/jm049039v | 5-hydroxytryptamine receptor 1A | 2 |
| 15887956 | 10.1021/jm049039v | 5-hydroxytryptamine receptor 1B | 2 |
| 15887956 | 10.1021/jm049039v | 5-hydroxytryptamine receptor 1D | 2 |
| 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