Compound Detail
CHEMBL104567
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 | CHEMBL104567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCICRXGLELYHLS-UTZODRGISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.9
MW (Da)
5.54
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.71
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.84 | 8.825 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 1.46 | nM | 8.84 | Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand... | 7636872 |
| Sodium-dependent dopamine transporter | Ki | = | 1.54 | nM | 8.81 | Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transpor... | 7636872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636872 | 10.1021/jm00016a012 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine