Compound Detail
CHEMBL382741
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Basic Information
| ChEMBL ID | CHEMBL382741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJNQZXPCJCLCNG-JOCHJYFZSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.06
ALogP
4
HBA
2
HBD
65.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 10.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 10.74 | 9.13 | 0.0 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 0.018 | nM | 10.74 | Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells as... | 19821575 |
| Cytochrome P450 2D6 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of CYP2D6 | 19821575 |
| Sodium-dependent dopamine transporter | IC50 | = | 2.0 | nM | 8.7 | Inhibition of DAT | 19821575 |
| Sodium-dependent serotonin transporter | IC50 | = | 3.0 | nM | 8.52 | Inhibition of SERT | 19821575 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 3.0 | nM | 8.52 | Inhibition of NET | 19821575 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of human ERG | 19821575 |
| Extracellular calcium-sensing receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of intracellular calcium release in human TT cells containing calcium... | 16216508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19821575 | 10.1021/jm900563e | Extracellular calcium-sensing receptor | 2 |
| 16216508 | 10.1016/j.bmcl.2005.08.095 | Extracellular calcium-sensing receptor | 1 |
| 19821575 | 10.1021/jm900563e | Sodium-dependent dopamine transporter | 1 |
| 19821575 | 10.1021/jm900563e | Sodium-dependent serotonin transporter | 1 |
| 19821575 | 10.1021/jm900563e | Sodium-dependent noradrenaline transporter | 1 |
| 19821575 | 10.1021/jm900563e | Cytochrome P450 2D6 | 1 |
| 19821575 | 10.1021/jm900563e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19821575 | 10.1021/jm900563e | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine