Compound Detail
CHEMBL324896
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Basic Information
| ChEMBL ID | CHEMBL324896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IISXJCNRUSFNIM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
5.01
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.62
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.74 | 5.74 | 1820.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.62 | 5.62 | 2420.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.38 | 5.38 | 4120.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.31 | 5.31 | 4930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1820.0 | nM | 5.74 | Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand | 10543888 |
| D(3) dopamine receptor | Ki | = | 2420.0 | nM | 5.62 | Binding affinity at dopamine receptor D3 | 11543687 |
| Norepinephrine transporter | Ki | = | 4120.0 | nM | 5.38 | The compound was tested for binding affinity nisoxatine ligand | 10543888 |
| Sodium-dependent dopamine transporter | Ki | = | 4930.0 | nM | 5.31 | Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand | 10543888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543888 | 10.1021/jm9902943 | Sodium-dependent dopamine transporter | 2 |
| 11543687 | 10.1021/jm010146o | D(3) dopamine receptor | 1 |
| 10543888 | 10.1021/jm9902943 | Sodium-dependent serotonin transporter | 1 |
| 10543888 | 10.1021/jm9902943 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine