Compound Detail
CHEMBL22643
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 | CHEMBL22643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJOZXTQPKPBRAE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
4.43
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.71 | 7.71 | 19.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 19.3 | nM | 7.71 | Inhibition of [3H]paroxetine binding to serotonin transporter (SERT) of rat cort... | 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