Compound Detail
CHEMBL426743
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Basic Information
| ChEMBL ID | CHEMBL426743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKSAEPSMCMRCOK-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.29
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.97 | 7.97 | 10.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | Ki | = | 10.8 | nM | 7.97 | Binding affinity at NET | 17123820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17123820 | 10.1016/j.bmc.2006.10.065 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine