Compound Detail
CHEMBL435322
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CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL435322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFIYISLDYYMTAR-KMPPMTKRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1575.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.55
Kd 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Kd | = | 1.995 | nM | 8.7 | Competitive antagonism of GnRH-induced response in the reporter gene assay | 11462984 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 2.8 | nM | 8.55 | Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293... | 11462984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462984 | 10.1021/jm0003900 | Rattus norvegicus | 3 |
| 11462984 | 10.1021/jm0003900 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine