Compound Detail
CHEMBL1641691
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Basic Information
| ChEMBL ID | CHEMBL1641691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFLGSFKBBRGLOC-CHWSQXEVSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.2
MW (Da)
2.69
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 8.35 | 8.35 | 4.5 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 4.5 | nM | 8.35 | Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells... | 21129986 |
| Sodium-dependent dopamine transporter | Ki | = | 4.5 | nM | 8.35 | Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after... | 23066448 |
| Sodium-dependent dopamine transporter | IC50 | = | 14.0 | nM | 7.85 | 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 |
| 23066448 | 10.1021/ml3000098 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine