Compound Detail
CHEMBL443922
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 | CHEMBL443922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUEHEMMKOYGDGT-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.2
MW (Da)
4.85
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.46 | 8.71 | 0.3 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 0.35 | nM | 9.46 | Inhibition of serotonin reuptake at SERT | 18948001 |
| Sodium-dependent serotonin transporter | IC50 | = | 11.0 | nM | 7.96 | Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK29... | 18571404 |
| Sodium-dependent dopamine transporter | IC50 | = | 140.0 | nM | 6.85 | Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 ... | 18571404 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 144.0 | nM | 6.84 | Displacement of [3H]ketanserin from 5HT2A receptor | 18948001 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 290.0 | nM | 6.54 | Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HE... | 18571404 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2120.0 | nM | 5.67 | Displacement of [3H]dofetilide from human ERG channel | 18948001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Sodium-dependent serotonin transporter | 1 |
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Sodium-dependent dopamine transporter | 1 |
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Sodium-dependent noradrenaline transporter | 1 |
| 18948001 | 10.1016/j.bmcl.2008.10.028 | Sodium-dependent serotonin transporter | 1 |
| 18948001 | 10.1016/j.bmcl.2008.10.028 | 5-hydroxytryptamine receptor 2A | 1 |
| 18948001 | 10.1016/j.bmcl.2008.10.028 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine