Compound Detail
CHEMBL3126725
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Basic Information
| ChEMBL ID | CHEMBL3126725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNHUOBDLUAOWEA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
2.29
ALogP
2
HBA
1
HBD
66.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.23 | 5.215 | 5930.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 5930.0 | nM | 5.23 | Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins b... | 24494745 |
| Sodium-dependent dopamine transporter | Ki | = | 6180.0 | nM | 5.21 | Dopamine Transporter Binding Assay: Brains from male Sprague-Dawley rats weighin... | - |
| Sodium-dependent dopamine transporter | Ki | = | 6180.0 | nM | 5.21 | Binding Assay: Dopamine Transporter Binding Assay. Brains from male Sprague-Dawl... | - |
| Sodium-dependent dopamine transporter | Ki | = | 6180.0 | nM | 5.21 | Dopamine Transporter Binding Assay: Dopamine Transporter Binding Assay. Brains f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24494745 | 10.1021/jm401754x | Unchecked | 1 |
| 24494745 | 10.1021/jm401754x | Sodium-dependent serotonin transporter | 1 |
| 24494745 | 10.1021/jm401754x | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine