Compound Detail
CHEMBL540617
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Basic Information
| ChEMBL ID | CHEMBL540617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSANWTPUYUTUMS-SZOUEMSFSA-N |
| Parent Compound | CHEMBL1190334 |
| Active Moiety | CHEMBL1190334 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.8
MW (Da)
4.62
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 0.16 | nM | 9.8 | Inhibition of norepinephrine (NE) into rat brain synaptosomes | 6747993 |
| Sodium-dependent serotonin transporter | Ki | = | 1.5 | nM | 8.82 | Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes | 6747993 |
| Sodium-dependent dopamine transporter | Ki | = | 1.7 | nM | 8.77 | Inhibition of dopamine (DA) uptake into rat brain synaptosomes | 6747993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6747993 | 10.1021/jm00374a001 | Mus musculus | 2 |
| 6747993 | 10.1021/jm00374a001 | Sodium-dependent dopamine transporter | 1 |
| 6747993 | 10.1021/jm00374a001 | Norepinephrine transporter | 1 |
| 6747993 | 10.1021/jm00374a001 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine