Compound Detail
CHEMBL3126753
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Basic Information
| ChEMBL ID | CHEMBL3126753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYSHCHWLZNNGIT-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.81
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.08 | 5.05 | 8370.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 8370.0 | nM | 5.08 | Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins b... | 24494745 |
| Sodium-dependent dopamine transporter | Ki | = | 9190.0 | nM | 5.04 | Dopamine Transporter Binding Assay: Brains from male Sprague-Dawley rats weighin... | - |
| Sodium-dependent dopamine transporter | Ki | = | 9190.0 | nM | 5.04 | Binding Assay: Dopamine Transporter Binding Assay. Brains from male Sprague-Dawl... | - |
| Sodium-dependent dopamine transporter | Ki | = | 9190.0 | nM | 5.04 | Dopamine Transporter Binding Assay: Dopamine Transporter Binding Assay. Brains f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24494745 | 10.1021/jm401754x | Unchecked | 2 |
| 24494745 | 10.1021/jm401754x | Sodium-dependent serotonin transporter | 2 |
| 24494745 | 10.1021/jm401754x | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine