Compound Detail
CHEMBL558086
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Basic Information
| ChEMBL ID | CHEMBL558086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBBBMMYVACZXLQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.2
MW (Da)
4.68
ALogP
3
HBA
0
HBD
69.1
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.11 | 7.11 | 78.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.58 | 6.58 | 264.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 78.0 | nM | 7.11 | Displacement of [3H]WIN-35428 from human dopamine transporter expressed in mouse... | 19442525 |
| Sodium-dependent dopamine transporter | IC50 | = | 264.0 | nM | 6.58 | Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mou... | 19442525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19442525 | 10.1016/j.bmc.2009.04.057 | Sodium-dependent dopamine transporter | 3 |
Data from ChEMBL 36 via Core Engine