Compound Detail
CHEMBL373725
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CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)S(=O)(=O)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL373725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVPKWKBSMZRQEW-YSZAJMORSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1563.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 5.7 | 5.7 | 2004.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 2004.0 | nM | 5.7 | Antagonist activity at human GnRHR expressed in HEK293 cells assessed as inhibit... | 17402723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17402723 | 10.1021/jm0613931 | Gonadotropin-releasing hormone receptor | 1 |
| 17402723 | 10.1021/jm0613931 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine