Compound Detail
CHEMBL130394
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 | CHEMBL130394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASZXQHNFBSDBMN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
3.64
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.77 | 8.39 | 1.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.7 | nM | 8.77 | Inhibition of [3H]dopamine uptake at the dopamine transporter in rat striatal ti... | 8960553 |
| Sodium-dependent dopamine transporter | IC50 | = | 6.3 | nM | 8.2 | Ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putam... | 12213055 |
| Sodium-dependent dopamine transporter | IC50 | = | 6.3 | nM | 8.2 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat brain | 8960553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960553 | 10.1021/jm960288w | Sodium-dependent dopamine transporter | 3 |
| 12213055 | 10.1021/jm0102093 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine