Compound Detail
CHEMBL280365
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COc1cccc(-n2c(=O)c3c(CN(C)Cc4ccccc4)c(-c4ccc(NC(=O)C(C)C)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL280365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCNKFVKUGBSINN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
694.8
MW (Da)
7.44
ALogP
8
HBA
1
HBD
85.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.3 | nM | 9.52 | 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