Compound Detail
CHEMBL362783
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL362783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVOUTMRHQVFORJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.63
ALogP
4
HBA
3
HBD
58.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.82 | 7.82 | 15.1 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.32 | 6.32 | 483.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 15.11 | nM | 7.82 | In vitro inhibition of [3H]citalopram binding to human serotonin transporter exp... | 15974579 |
| Sodium-dependent noradrenaline transporter | Ki | = | 483.55 | nM | 6.32 | In vitro inhibition of [3H]nisoxetine binding to norepinephrine transporter expr... | 15974579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974579 | 10.1021/jm050079o | Sodium-dependent serotonin transporter | 1 |
| 15974579 | 10.1021/jm050079o | Sodium-dependent dopamine transporter | 1 |
| 15974579 | 10.1021/jm050079o | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine