Compound Detail
CHEMBL281167
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COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2OC)c(=O)n3Cc2c(F)cccc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL281167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPPWHYRLXJRBKM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
639.7
MW (Da)
6.86
ALogP
8
HBA
0
HBD
65.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 200.0 | nM | 6.7 | Antagonist concentration required to inhibit specific binding of [125I]leuprorel... | 12502365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502365 | 10.1021/jm020180i | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine