Compound Detail
CHEMBL411565
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CC(=O)Nc1ccc(C[C@@H](NC(=O)[C@@H](Cc2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL411565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APQDXMPSVKVJEA-FUBWEVOJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1645.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Kd 1 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Kd | 9.5 | 9.5 | 0.3 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Kd | = | 0.3162 | nM | 9.5 | Competitive antagonism of GnRH-induced response in the reporter gene assay | 11462984 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 7.9 | nM | 8.1 | 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 | Gonadotropin-releasing hormone receptor | 2 |
| 11462984 | 10.1021/jm0003900 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine