Compound Detail
CHEMBL410832
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Basic Information
| ChEMBL ID | CHEMBL410832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCNXGYVVSPWIJU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.04
ALogP
5
HBA
0
HBD
39.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
IC50 1 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 9.39 | 9.39 | 0.4 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.76 | 5.76 | 1750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 0.41 | nM | 9.39 | Inhibition of human ERG channel | 18221879 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig b... | 18221879 |
| Unchecked | Ki | = | 1750.0 | nM | 5.76 | Displacement of [3H]ditolylguanidine from sigma 2 opioid receptor in rat liver | 18221879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18221879 | 10.1016/j.bmc.2007.12.045 | Unchecked | 5 |
| 18221879 | 10.1016/j.bmc.2007.12.045 | Sigma non-opioid intracellular receptor 1 | 1 |
| 18221879 | 10.1016/j.bmc.2007.12.045 | 5-hydroxytryptamine receptor 1A | 1 |
| 18221879 | 10.1016/j.bmc.2007.12.045 | Sodium-dependent serotonin transporter | 1 |
| 18221879 | 10.1016/j.bmc.2007.12.045 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine