Compound Detail
CHEMBL363396
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 | CHEMBL363396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJNBQYUXJFISF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
4.38
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.45 | 8.26 | 3.6 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.66 | 6.48 | 219.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 3.58 | nM | 8.45 | In vitro displacement of [3H]paroxetine from human serotonin transporter express... | 15801845 |
| Sodium-dependent serotonin transporter | Ki | = | 8.55 | nM | 8.07 | In vitro inhibition of [3H]citalopram binding to human serotonin transporter exp... | 15974579 |
| Sodium-dependent noradrenaline transporter | Ki | = | 219.0 | nM | 6.66 | In vitro inhibition of [3H]nisoxetine binding to norepinephrine transporter expr... | 15974579 |
| Sodium-dependent noradrenaline transporter | Ki | = | 505.0 | nM | 6.3 | In vitro displacement of [3H]nisoxetine from human norepinephrine transporter ex... | 15801845 |
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 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent serotonin transporter | 1 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent dopamine transporter | 1 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine