Compound Detail
CHEMBL3085808
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CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3085808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFZUZPTXXFNAJK-XNOQAKMASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1279.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL1169599 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| KiSS-1 receptor CHEMBL5413 | Ki | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | Ki | = | 0.16 | nM | 9.8 | Binding affinity to rat KISS1R | 24047141 |
| KiSS-1 receptor | Ki | = | 0.21 | nM | 9.68 | Binding affinity to human KISS1R expressed in CHO cell membranes | 24047141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24047141 | 10.1021/jm401056w | KiSS-1 receptor | 3 |
| 24047141 | 10.1021/jm401056w | Serum | 1 |
Data from ChEMBL 36 via Core Engine