Compound Detail
CHEMBL2151649
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2151649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBFRSORKHTYFNW-KCFGJDGESA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1244.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.37
EC50 1 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL5413 | EC50 | 9.89 | 9.89 | 0.1 | 1 |
| KiSS-1 receptor CHEMBL5413 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| KiSS-1 receptor CHEMBL1169599 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | EC50 | = | 0.13 | nM | 9.89 | Agonist activity at human KISS1R assessed as induction of intracellular calcium ... | 22975302 |
| KiSS-1 receptor | IC50 | = | 0.43 | nM | 9.37 | Binding affinity to human KISS1R | 22975302 |
| KiSS-1 receptor | IC50 | = | 0.46 | nM | 9.34 | Binding affinity to rat KISS1R | 22975302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22975302 | 10.1016/j.bmcl.2012.08.069 | KiSS-1 receptor | 3 |
| 22975302 | 10.1016/j.bmcl.2012.08.069 | Serum | 1 |
Data from ChEMBL 36 via Core Engine