Compound Detail
CHEMBL438652
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL438652 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WNZHRRNVSJJMRG-BXXNOCLASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1125.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.22 | 8.11 | 6.0 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of [125I]leuprorelin binding to monkey anterior pituitary LHRH recept... | 16789738 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 7.0 | nM | 8.15 | Inhibition of [125I]leuprorelin binding to rat anterior pituitary LHRH receptor | 16789738 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expre... | 16789738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789738 | 10.1021/jm0512894 | Gonadotropin-releasing hormone receptor | 5 |
Data from ChEMBL 36 via Core Engine