Compound Detail
CHEMBL39591
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Basic Information
| ChEMBL ID | CHEMBL39591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDGVHAIWRUCUAO-WMLDXEAASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
4.89
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 260.0 | nM | 6.58 | Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothal... | 6492080 |
| Sodium-dependent serotonin transporter | IC50 | = | 390.0 | nM | 6.41 | Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, ... | 6492080 |
| Sodium-dependent dopamine transporter | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum... | 6492080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6492080 | 10.1021/jm00377a021 | Sodium-dependent dopamine transporter | 1 |
| 6492080 | 10.1021/jm00377a021 | Sodium-dependent serotonin transporter | 1 |
| 6492080 | 10.1021/jm00377a021 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine