Compound Detail
CHEMBL356755
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Basic Information
| ChEMBL ID | CHEMBL356755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXRWXRTYMZEFKF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
3.68
ALogP
5
HBA
1
HBD
89.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.52 | 5.52 | 3050.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 4.82 | 4.82 | 15050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 2.39 | nM | 8.62 | In vitro binding affinity in LLC-PK1 cells by SERT binding assay by using [125I]... | 12361398 |
| Sodium-dependent dopamine transporter | Ki | = | 3050.0 | nM | 5.52 | In vitro binding affinity in LLC-PK1 cells by Dopamine transporter binding assay... | 12361398 |
| Sodium-dependent serotonin transporter | Ki | = | 15050.0 | nM | 4.82 | In vitro binding affinity in LLC-PK1 cells by Norepinephrine transporter binding... | 12361398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361398 | 10.1021/jm020167y | Sodium-dependent serotonin transporter | 2 |
| 12361398 | 10.1021/jm020167y | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine