Compound Detail
CHEMBL354035
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Basic Information
| ChEMBL ID | CHEMBL354035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMHOEPPHTBTLAR-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
2.78
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.3 | 5.6783 | 495.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 495.0 | nM | 6.3 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 1160.0 | nM | 5.94 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 2260.0 | nM | 5.65 | Inhibition of dopamine uptake into rat striatal tissue, using [3H]- dopamine as ... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 5550.0 | nM | 5.26 | Inhibition of dopamine uptake into rat striatal tissue, using [3H]- dopamine as ... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 7120.0 | nM | 5.15 | Inhibition of dopamine uptake into rat striatal tissue, using [3H]- dopamine as ... | 10072685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072685 | 10.1021/jm980566m | Sodium-dependent dopamine transporter | 9 |
Data from ChEMBL 36 via Core Engine