Compound Detail
CHEMBL334546
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Basic Information
| ChEMBL ID | CHEMBL334546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAMCGXVVAUEEEU-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
2.99
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.55 | 7.55 | 28.4 | 2 |
| Norepinephrine transporter CHEMBL304 | IC50 | 7.41 | 6.4 | 39.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.26 | 7.26 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 28.4 | nM | 7.55 | Inhibition of [3H]paroxetine binding to serotonin transporter in rat frontal cor... | 8831768 |
| Sodium-dependent serotonin transporter | IC50 | = | 28.4 | nM | 7.55 | In vitro inhibitory activity against radioligand [3H]paroxetine binding to serot... | 9397165 |
| Norepinephrine transporter | IC50 | = | 39.0 | nM | 7.41 | In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to nore... | 9397165 |
| Sodium-dependent dopamine transporter | IC50 | = | 55.0 | nM | 7.26 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat striata. | 8831768 |
| Sodium-dependent dopamine transporter | IC50 | = | 55.0 | nM | 7.26 | In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopam... | 9397165 |
| Norepinephrine transporter | IC50 | = | 4030.0 | nM | 5.39 | Inhibition of [3H]nisoxetine binding to the norepinephrine transporter in rat mi... | 8831768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831768 | 10.1021/jm960409s | Sodium-dependent serotonin transporter | 1 |
| 8831768 | 10.1021/jm960409s | Sodium-dependent dopamine transporter | 1 |
| 8831768 | 10.1021/jm960409s | Norepinephrine transporter | 1 |
| 8831768 | 10.1021/jm960409s | Monoamine transporters; serotonin & dopamine | 1 |
| 8831768 | 10.1021/jm960409s | Monoamine transporters; Norepinephrine & serotonin | 1 |
| 9397165 | 10.1021/jm970492z | Sodium-dependent dopamine transporter | 1 |
| 9397165 | 10.1021/jm970492z | Norepinephrine transporter | 1 |
| 9397165 | 10.1021/jm970492z | Sodium-dependent serotonin transporter | 1 |
| 9397165 | 10.1021/jm970492z | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 9397165 | 10.1021/jm970492z | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine