Compound Detail
CHEMBL50518
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Basic Information
| ChEMBL ID | CHEMBL50518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZEYBRZITXZYGQ-PQAZSJQKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.95
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 4.46 | 4.44 | 35000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 35000.0 | nM | 4.46 | Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (... | 10406650 |
| Sodium-dependent dopamine transporter | Ki | = | 38000.0 | nM | 4.42 | Binding affinity towards dopamine transporter using [3H]- mazindol as radioligan... | 10406650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406650 | 10.1016/s0960-894x(99)00273-5 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine