Compound Detail
CHEMBL536947
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Basic Information
| ChEMBL ID | CHEMBL536947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTRHBASFAHQUOY-SZOUEMSFSA-N |
| Parent Compound | CHEMBL1188624 |
| Active Moiety | CHEMBL1188624 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.88
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.03 | 7.03 | 94.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 3.4 | nM | 8.47 | Inhibition of norepinephrine (NE) into rat brain synaptosomes | 6747993 |
| Sodium-dependent serotonin transporter | Ki | = | 5.0 | nM | 8.3 | Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes | 6747993 |
| Sodium-dependent dopamine transporter | Ki | = | 94.2 | nM | 7.03 | 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