Compound Detail
CHEMBL212328
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 | CHEMBL212328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBPGONCPPLDYIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
4.89
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1920.0 | nM | 5.72 | Displacement of [3H]WIN-35428 from human DAT | 16854064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854064 | 10.1021/jm060287w | Sodium-dependent dopamine transporter | 1 |
| 16854064 | 10.1021/jm060287w | Sodium-dependent serotonin transporter | 1 |
| 16854064 | 10.1021/jm060287w | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine