Compound Detail
CHEMBL2373744
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Basic Information
| ChEMBL ID | CHEMBL2373744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNESBMMZVPTREH-YJGRXZAUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
2.43
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.1 | 8.0767 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 8.0 | nM | 8.1 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 8.14 | nM | 8.09 | Affinity against cocaine binding site of dopamine transporter in rat striatum us... | 1895292 |
| Sodium-dependent dopamine transporter | IC50 | = | 9.2 | nM | 8.04 | Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to ... | 8071935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 1 |
| 1895292 | 10.1021/jm00113a008 | Sodium-dependent dopamine transporter | 1 |
| 8071935 | 10.1021/jm00044a007 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine