Compound Detail
CHEMBL427438
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CS[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL427438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNOHGPTZCIGJAF-SLOMUXTRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1565.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.8 | nM | 9.1 | Antagonist activity at human GnRHR expressed in HEK293 cells assessed as inhibit... | 17402723 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 1.7 | nM | 8.77 | Antagonist activity at rat GnRHR expressed in HEK293 cells assessed as inhibitio... | 17402723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17402723 | 10.1021/jm0613931 | Gonadotropin-releasing hormone receptor | 3 |
| 17402723 | 10.1021/jm0613931 | Unchecked | 1 |
| 17402723 | 10.1021/jm0613931 | Rattus norvegicus | 1 |
| 17402723 | 10.1021/jm0613931 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine