Compound Detail
CHEMBL442763
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Basic Information
| ChEMBL ID | CHEMBL442763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYFSSZYOVLRLQK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.06
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.91 | 8.91 | 1.2 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 7.66 | 7.66 | 21.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.24 | nM | 8.91 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat striata. | 8831768 |
| Sodium-dependent serotonin transporter | IC50 | = | 1.59 | nM | 8.8 | Inhibition of [3H]paroxetine binding to serotonin transporter in rat frontal cor... | 8831768 |
| Norepinephrine transporter | IC50 | = | 21.8 | nM | 7.66 | 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 |
Data from ChEMBL 36 via Core Engine