Compound Detail
CHEMBL1641696
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Basic Information
| ChEMBL ID | CHEMBL1641696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZDPHHLEXGFTPC-WOJBJXKFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
5.54
ALogP
4
HBA
0
HBD
78.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Ki 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.69 | 5.69 | 2056.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.33 | 5.33 | 4627.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 2056.0 | nM | 5.69 | Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells... | 21129986 |
| Sodium-dependent dopamine transporter | IC50 | = | 4627.0 | nM | 5.33 | Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells | 21129986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129986 | 10.1016/j.bmc.2010.11.002 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine