Compound Detail
CHEMBL5422863
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CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2cccc(OC(F)F)c2F)c(=O)n3Cc2c(F)cncc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL5422863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIKFRZMFRXETFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
676.6
MW (Da)
5.09
ALogP
10
HBA
2
HBD
119.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.96 | 7.96 | 10.9 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 10.94 | nM | 7.96 | Antagonist activity at human GnRH-R expressed in HEK293 cells assessed as change... | 35998545 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human recombinant hERG expressed in CHO-K1 cells assessed as inhib... | 35998545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35998545 | 10.1016/j.ejmech.2022.114679 | Gonadotropin-releasing hormone receptor | 2 |
| 35998545 | 10.1016/j.ejmech.2022.114679 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine