Compound Detail
CHEMBL299233
TALOPRAM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL299233 |
| Name | TALOPRAM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LJBBMCNHIUJBDU-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
1
Known Names
Molecular Properties
295.4
MW (Da)
4.20
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 3 meas. best 8.54
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.1 | 6.1 | 795.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 2.9 | nM | 8.54 | Inhibition of noradrenaline uptake in rat synaptosomal fraction | 2999402 |
| Norepinephrine transporter | Ki | = | 4.5 | nM | 8.35 | Displacement of [3H]-nisoxetine from NET in Sprague-Dawley rat brain prefrontal ... | 34355183 |
| Sodium-dependent serotonin transporter | Ki | = | 795.0 | nM | 6.1 | Displacement of [3H]-citalopram from SERT in Sprague-Dawley rat brainstem incuba... | 34355183 |
| Sodium-dependent serotonin transporter | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of 5-HT uptake in rat synaptosomal fraction | 2999402 |
| Sodium-dependent dopamine transporter | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of dopamine uptake in rat synaptosomal fraction | 2999402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2999402 | 10.1021/jm00150a012 | Mus musculus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 2999402 | 10.1021/jm00150a012 | Sodium-dependent dopamine transporter | 1 |
| 2999402 | 10.1021/jm00150a012 | Norepinephrine transporter | 1 |
| 2999402 | 10.1021/jm00150a012 | Sodium-dependent serotonin transporter | 1 |
| 18429609 | 10.1021/jm701602g | Sodium-dependent serotonin transporter | 1 |
| 18429609 | 10.1021/jm701602g | Sodium-dependent noradrenaline transporter | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 34355183 | 10.1039/D1MD00072A | Norepinephrine transporter | 1 |
| 34355183 | 10.1039/D1MD00072A | Sodium-dependent dopamine transporter | 1 |
| 34355183 | 10.1039/D1MD00072A | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine