Compound Detail
CHEMBL429065
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Basic Information
| ChEMBL ID | CHEMBL429065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSNXAVGNELKROQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.3
MW (Da)
3.65
ALogP
3
HBA
2
HBD
32.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.01 | 9.01 | 1.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.89 | 7.89 | 12.8 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.98 | nM | 9.01 | Inhibition of [3H]paroxetine binding to serotonin transporter (SERT) of rat cort... | 11881994 |
| Norepinephrine transporter | Ki | = | 12.8 | nM | 7.89 | Inhibition of [3H]nisoxetine binding to norepinephrine transporter (NET) of rat ... | 11881994 |
| Sodium-dependent dopamine transporter | Ki | = | 760.0 | nM | 6.12 | Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat stria... | 11881994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881994 | 10.1021/jm010939a | Sodium-dependent serotonin transporter | 1 |
| 11881994 | 10.1021/jm010939a | Sodium-dependent dopamine transporter | 1 |
| 11881994 | 10.1021/jm010939a | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine