Compound Detail
CHEMBL257956
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Basic Information
| ChEMBL ID | CHEMBL257956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKQCMMAAFNFEPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.18
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 32000.0 | nM | 4.5 | Displacement of [3H]DA from rat DAT | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine