Compound Detail
CHEMBL5424526
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCOC(F)(F)F)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL5424526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITULOVJBTRLROY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
771.7
MW (Da)
5.54
ALogP
12
HBA
2
HBD
141.8
PSA (Ų)
0.12
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 6.46 | nM | 8.19 | Antagonist activity at human GnRH-R expressed in HEK293 cells assessed as change... | 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