Compound Detail
CHEMBL177269
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Basic Information
| ChEMBL ID | CHEMBL177269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYKATAPFAYNVFX-OSIBBQKWSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.44
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.7 | 6.886 | 20.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 20.0 | nM | 7.7 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 77.0 | nM | 7.11 | Inhibition of [3H]dopamine uptake at dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 140.0 | nM | 6.85 | Inhibition of [3H]BTCP binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 250.0 | nM | 6.6 | Inhibition of [3H]GBR-12935 binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 668.0 | nM | 6.17 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 5 |
Data from ChEMBL 36 via Core Engine