Compound Detail
CHEMBL216519
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CC(=O)Nc1ccc(C[C@H](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](Cc2ccc(NC(C)=O)cc2)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 | CHEMBL216519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWNUQDJANZGVFO-MOMNUFAVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1533.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 9.64 | 9.64 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.23 | nM | 9.64 | Inhibition of binding of radiolabeled histrelin to Gonadotropin-releasing hormon... | 9371239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371239 | 10.1021/jm970024p | Rattus norvegicus | 2 |
| 9371239 | 10.1021/jm970024p | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine