Compound Detail
CHEMBL3913879
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Basic Information
| ChEMBL ID | CHEMBL3913879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHPORSWAQBHGFF-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
2.52
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.2 | 6.2 | 636.0 | 4 |
| Unchecked CHEMBL612545 | Ki | 6.07 | 5.74 | 861.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 636.0 | nM | 6.2 | Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes inc... | 27933960 |
| Sodium-dependent dopamine transporter | Ki | = | 636.0 | nM | 6.2 | Dopamine Transporter Binding Assay: Brains from male Sprague-Dawley rats weighin... | - |
| Sodium-dependent dopamine transporter | Ki | = | 636.0 | nM | 6.2 | Binding Assay: Dopamine Transporter Binding Assay. Brains from male Sprague-Dawl... | - |
| Sodium-dependent dopamine transporter | Ki | = | 636.0 | nM | 6.2 | Dopamine Transporter Binding Assay: Dopamine Transporter Binding Assay. Brains f... | - |
| Unchecked | Ki | = | 861.0 | nM | 6.07 | Uptake Assays: The uptake assays were carried out 2 days after transfection. Pri... | - |
| Unchecked | Ki | = | 3930.0 | nM | 5.41 | Uptake Assays: The uptake assays were carried out 2 days after transfection. Pri... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Unchecked | 3 |
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Sodium-dependent dopamine transporter | 1 |
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine