Compound Detail
CHEMBL559610
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL559610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJLUMLBNDXXSIW-SJORKVTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.13
ALogP
5
HBA
2
HBD
59.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.94 | 7.9 | 11.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 11.4 | nM | 7.94 | Inhibition of [3H]nisoxetine binding to human NET expressed in MDCK-Net6 cells b... | 19722525 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 13.8 | nM | 7.86 | Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cell... | 19722525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19722525 | 10.1021/jm900888c | Sodium-dependent noradrenaline transporter | 2 |
| 19722525 | 10.1021/jm900888c | Sodium-dependent serotonin transporter | 1 |
| 19722525 | 10.1021/jm900888c | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine