Compound Detail
CHEMBL35441
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Basic Information
| ChEMBL ID | CHEMBL35441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEFHMLXHQQALTE-RBUKOAKNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.84
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.86 | 7.86 | 13.8 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 7.9 | nM | 8.1 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Norepinephrine transporter | Ki | = | 13.8 | nM | 7.86 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 83.0 | nM | 7.08 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039136 | 10.1021/jm00391a028 | Mus musculus | 2 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent dopamine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Norepinephrine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine