Compound Detail
CHEMBL434380
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CONC(=O)Nc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccc(NC(=O)NOC)cc2)N(C)C(=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 | CHEMBL434380 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IIUICBOKUIDWPO-GWAAZTGTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1609.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.15 | 9.15 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.7079 | nM | 9.15 | Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibiti... | 16759096 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.7 | nM | 9.15 | Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibiti... | 16759096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759096 | 10.1021/jm060240a | Gonadotropin-releasing hormone receptor | 2 |
| 16759096 | 10.1021/jm060240a | Mast cell | 1 |
| 16759096 | 10.1021/jm060240a | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine