Compound Detail
CHEMBL365183
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Basic Information
| ChEMBL ID | CHEMBL365183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAYGSYISSLIYTN-YAAHMLIESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.8
MW (Da)
4.42
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 22.0 | nM | 7.66 | Inhibition constant against norepinephrine transporter | 16220969 |
| Sodium-dependent dopamine transporter | IC50 | = | 28.0 | nM | 7.55 | Inhibitory concentration against dopamine transporter | 16220969 |
| Sodium-dependent serotonin transporter | IC50 | = | 270.0 | nM | 6.57 | Inhibitory concentration against serotonin transporter | 16220969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220969 | 10.1021/jm058225d | Sodium-dependent serotonin transporter | 1 |
| 16220969 | 10.1021/jm058225d | Sodium-dependent noradrenaline transporter | 1 |
| 16220969 | 10.1021/jm058225d | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine