Compound Detail
CHEMBL335957
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 | CHEMBL335957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLSWNCNHLJXEJN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.5
MW (Da)
5.84
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.62 | 7.1867 | 24.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 24.0 | nM | 7.62 | Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat fo... | 8258830 |
| Sodium-dependent dopamine transporter | IC50 | = | 34.0 | nM | 7.47 | Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosome... | 8258830 |
| Sodium-dependent dopamine transporter | IC50 | = | 337.0 | nM | 6.47 | Tested for radioligand [3H]cocaine displacement from dopamine transporter in rat... | 8258830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258830 | 10.1021/jm00077a011 | Sodium-dependent dopamine transporter | 5 |
| 8258830 | 10.1021/jm00077a011 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine