Compound Detail
CHEMBL2113360
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Basic Information
| ChEMBL ID | CHEMBL2113360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYZSTRAQAABJLW-LDOMCPGLSA-N |
| Parent Compound | CHEMBL2219581 |
| Active Moiety | CHEMBL2219581 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
4.04
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.62 | 6.315 | 239.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 239.7 | nM | 6.62 | Inhibition of [3H]dopamine uptake into rat striatal synaptosomes | 15857139 |
| Sodium-dependent dopamine transporter | IC50 | = | 975.0 | nM | 6.01 | Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen | 15857139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857139 | 10.1021/jm0490235 | Sodium-dependent dopamine transporter | 2 |
| 15857139 | 10.1021/jm0490235 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine