Compound Detail
CHEMBL386958
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CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL386958 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BYXPRMCWXVVZIS-ZZLSJORXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1584.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.96
Ki 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL5413 | Ki | 7.53 | 7.53 | 29.5 | 1 |
| KiSS-1 receptor CHEMBL5413 | EC50 | 6.96 | 6.96 | 108.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | Ki | = | 29.5 | nM | 7.53 | Displacement of [125]metastin from metastin receptor | 17266198 |
| KiSS-1 receptor | EC50 | = | 108.3 | nM | 6.96 | Activity at metastin receptor expressed in HEK293 cells by measuring calcium rel... | 17266198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266198 | 10.1021/jm0609824 | KiSS-1 receptor | 2 |
Data from ChEMBL 36 via Core Engine