Compound Detail
CHEMBL1253709
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Basic Information
| ChEMBL ID | CHEMBL1253709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWBBMMXWHVZGGM-CHWSQXEVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.67
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.46 | 7.46 | 34.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 6.3 | nM | 8.2 | Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after... | 23066448 |
| Sodium-dependent dopamine transporter | IC50 | = | 34.5 | nM | 7.46 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
| Sodium-dependent dopamine transporter | IC50 | = | 34.67 | nM | 7.46 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20846865 | 10.1016/j.bmc.2010.08.034 | Sodium-dependent dopamine transporter | 2 |
| 23066448 | 10.1021/ml3000098 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine