Compound Detail
CHEMBL1095524
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Basic Information
| ChEMBL ID | CHEMBL1095524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVEJRNDJZBJGNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.9
MW (Da)
3.09
ALogP
4
HBA
2
HBD
35.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 720.0 | nM | 6.14 | Inhibition of human NET transfected in MDCK-Net6 cells | 20378347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20378347 | 10.1016/j.bmcl.2010.03.059 | Sodium-dependent noradrenaline transporter | 2 |
| 20378347 | 10.1016/j.bmcl.2010.03.059 | Sodium-dependent dopamine transporter | 1 |
| 20378347 | 10.1016/j.bmcl.2010.03.059 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine