Compound Detail
CHEMBL3085809
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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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3085809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZGMIASWPKEYNA-CDMMCNGGSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1203.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.36
EC50 1 meas. best 10.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL5413 | Ki | 10.36 | 10.36 | 0.0 | 1 |
| KiSS-1 receptor CHEMBL5413 | EC50 | 10.24 | 10.24 | 0.1 | 1 |
| KiSS-1 receptor CHEMBL1169599 | Ki | 10.23 | 10.23 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | Ki | = | 0.044 | nM | 10.36 | Binding affinity to human KISS1R expressed in CHO cell membranes | 24047141 |
| KiSS-1 receptor | EC50 | = | 0.057 | nM | 10.24 | Agonist activity at human KISS1R expressed in CHO cells assessed as increase in ... | 30598349 |
| KiSS-1 receptor | Ki | = | 0.059 | nM | 10.23 | Binding affinity to rat KISS1R | 24047141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24047141 | 10.1021/jm401056w | KiSS-1 receptor | 3 |
| 24047141 | 10.1021/jm401056w | Serum | 1 |
| 30598349 | 10.1016/j.bmcl.2018.12.016 | No relevant target | 1 |
| 30598349 | 10.1016/j.bmcl.2018.12.016 | KiSS-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine