Compound Detail
CHEMBL5284728
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Basic Information
| ChEMBL ID | CHEMBL5284728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEYITZYIKGLXEN-VXKWHMMOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
4.00
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.59
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.59 | 6.59 | 257.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 257.0 | nM | 6.59 | Induction of progranulin secretion in mouse BV-2 cells | 36368496 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of human ERG | 36368496 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 17000.0 | nM | 4.77 | Antagonist activity at M3 receptor (unknown origin) | 36368496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36368496 | 10.1016/j.bmcl.2022.129048 | Unchecked | 1 |
| 36368496 | 10.1016/j.bmcl.2022.129048 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 36368496 | 10.1016/j.bmcl.2022.129048 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine