Compound Detail
CHEMBL426251
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Basic Information
| ChEMBL ID | CHEMBL426251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPXUSHQKEKPOFJ-ZDUSSCGKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
4.69
ALogP
4
HBA
1
HBD
21.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.85 | 8.1967 | 1.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.4 | nM | 8.85 | Binding affinity for Norepinephrine transporter | 15454233 |
| Unchecked | Ki | = | 1.5 | nM | 8.82 | Binding affinity for 5-hydroxytryptamine transporter | 15454233 |
| Unchecked | Ki | = | 120.0 | nM | 6.92 | Binding affinity for Dopamine transporter | 15454233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454233 | 10.1016/j.bmcl.2004.08.005 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine