Compound Detail
CHEMBL4449806
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 | CHEMBL4449806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKEMOHAXNWAKHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
5.76
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.05 | 5.05 | 8870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 8870.0 | nM | 5.05 | Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 ce... | 27647372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27647372 | 10.1016/j.bmc.2016.09.005 | Sodium-dependent dopamine transporter | 1 |
| 27647372 | 10.1016/j.bmc.2016.09.005 | Sodium-dependent serotonin transporter | 1 |
| 27647372 | 10.1016/j.bmc.2016.09.005 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine