Compound Detail
CHEMBL5280684
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CN(C)[C@H]1CC[C@@]2(CN=C(N3CCc4ccccc4[C@@H]3c3ccc(F)cc3)O2)C1
Basic Information
| ChEMBL ID | CHEMBL5280684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXUNXHMUWZMATF-SSPYTLHUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.01
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.62 | 6.62 | 237.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 237.0 | nM | 6.62 | Induction of progranulin secretion in mouse BV-2 cells | 36368496 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human ERG | 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 |
Data from ChEMBL 36 via Core Engine