Compound Detail
CHEMBL142159
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Basic Information
| ChEMBL ID | CHEMBL142159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOPRSKLHOFECQR-MHZLTWQESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.19
ALogP
4
HBA
2
HBD
44.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.51 | 7.08 | 31.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.07 | 6.07 | 857.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 31.0 | nM | 7.51 | Inhibition of dopamine DA reuptake | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 222.0 | nM | 6.65 | Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935 | 8941383 |
| Sodium-dependent serotonin transporter | IC50 | = | 857.0 | nM | 6.07 | 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 | 2 |
| 8941383 | 10.1021/jm960305h | Sodium-dependent serotonin transporter | 1 |
| 8941383 | 10.1021/jm960305h | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine