Compound Detail
CHEMBL143039
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 | CHEMBL143039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMRSEBICFQGPAR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
6.07
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.06 | 6.8 | 87.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 87.0 | nM | 7.06 | Inhibition of dopamine DA reuptake | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 286.0 | nM | 6.54 | Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935 | 8941383 |
| Sodium-dependent serotonin transporter | IC50 | = | 3150.0 | nM | 5.5 | Inhibition of [3H]5-HT reuptake at rat serotonin transporter | 8941383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941383 | 10.1021/jm960305h | Sodium-dependent dopamine transporter | 2 |
| 8941383 | 10.1021/jm960305h | Sodium-dependent serotonin transporter | 1 |
| 8941383 | 10.1021/jm960305h | Sigma non-opioid intracellular receptor 1 | 1 |
| 8941383 | 10.1021/jm960305h | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine