Compound Detail
CHEMBL143612
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Basic Information
| ChEMBL ID | CHEMBL143612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYZBDSAALZWYTR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
6.22
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.8 | 8.25 | 1.6 | 3 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.77 | 5.77 | 1710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.6 | nM | 8.8 | Compound was tested for binding against Dopamine transporter using radioligand a... | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 9.3 | nM | 8.03 | Binding against Dopamine transporter using radioligand as [3H]GBR 12935 | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 12.0 | nM | 7.92 | Inhibition of dopamine DA reuptake | 8941383 |
| Sodium-dependent serotonin transporter | IC50 | = | 1710.0 | nM | 5.77 | Inhibition of [3H]5-HT reuptake at rat serotonin transporter | 8941383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941383 | 10.1021/jm960305h | Sodium-dependent dopamine transporter | 3 |
| 8941383 | 10.1021/jm960305h | Sodium-dependent serotonin transporter | 1 |
| 8941383 | 10.1021/jm960305h | Sigma non-opioid intracellular receptor 1 | 1 |
| 8941383 | 10.1021/jm960305h | Monoamine transporters; serotonin & dopamine | 1 |
| 8941383 | 10.1021/jm960305h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine