Compound Detail
CHEMBL189989
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 | CHEMBL189989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBONEHVIUFEJGP-SOAGJPPSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.70
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.46 | 6.255 | 347.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 347.0 | nM | 6.46 | Inhibition of [3H]dopamine uptake into rat striatal synaptosomes | 15857139 |
| Sodium-dependent dopamine transporter | IC50 | = | 900.0 | nM | 6.05 | Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen | 15857139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857139 | 10.1021/jm0490235 | Sodium-dependent dopamine transporter | 2 |
| 15857139 | 10.1021/jm0490235 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine