Compound Detail
CHEMBL567480
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Basic Information
| ChEMBL ID | CHEMBL567480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJSOCXYIJJIWHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
225.7
MW (Da)
2.91
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.1 | 6.1 | 793.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 793.0 | nM | 6.1 | Inhibition of DAT-mediated dopamine uptake in rat synaptosomes | 24944732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19821577 | 10.1021/jm901189z | Sodium-dependent noradrenaline transporter | 2 |
| 19821577 | 10.1021/jm901189z | Sodium-dependent serotonin transporter | 2 |
| 19821577 | 10.1021/jm901189z | Sodium-dependent dopamine transporter | 2 |
| 24944732 | 10.1021/ml500113s | Transporter | 2 |
| 24944732 | 10.1021/ml500113s | 5-hydroxytryptamine receptor 2A | 2 |
| 24944732 | 10.1021/ml500113s | 5-hydroxytryptamine receptor 2B | 2 |
| 19821577 | 10.1021/jm901189z | Mus musculus | 1 |
| 24944732 | 10.1021/ml500113s | Sodium-dependent dopamine transporter | 1 |
| 24944732 | 10.1021/ml500113s | Sodium-dependent serotonin transporter | 1 |
| 24944732 | 10.1021/ml500113s | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine