Compound Detail
CHEMBL336761
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Basic Information
| ChEMBL ID | CHEMBL336761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCDYSXUCSHCYDC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
1.35
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.2 | 7.2 | 62.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 63.0 | nM | 7.2 | Ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putam... | 12213055 |
| Sodium-dependent dopamine transporter | IC50 | = | 62.5 | nM | 7.2 | Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal memb... | 12213053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213055 | 10.1021/jm0102093 | Sodium-dependent dopamine transporter | 1 |
| 12213053 | 10.1021/jm010302r | Sodium-dependent dopamine transporter | 1 |
| 12213053 | 10.1021/jm010302r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine