Compound Detail
CHEMBL6391
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 | CHEMBL6391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVACHJAKQMSYSU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
1.61
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.71 | 5.71 | 1937.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 93.0 | nM | 7.03 | Activity towards Serotonin transporter was determined by the ability to inhibit ... | 9526575 |
| Norepinephrine transporter | IC50 | = | 1937.0 | nM | 5.71 | Compound was tested for the ability to inhibit [3H]norepinephrine binding to Nor... | 9526575 |
| Rattus norvegicus | IC50 | = | 12000.0 | nM | 4.92 | Compound was tested for its ability to inhibit [3H]dopamine uptake in rat synapt... | 9526575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526575 | 10.1021/jm9705925 | Rattus norvegicus | 6 |
| 9526575 | 10.1021/jm9705925 | Unchecked | 2 |
| 9526575 | 10.1021/jm9705925 | Sodium-dependent serotonin transporter | 1 |
| 9526575 | 10.1021/jm9705925 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine