Compound Detail
CHEMBL3896533
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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](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3896533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKNXJAQUXMTJGB-INAOFNLRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1169.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL5413 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| KiSS-1 receptor CHEMBL1169599 | EC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | EC50 | = | 5.2 | nM | 8.28 | Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increas... | 27589480 |
| KiSS-1 receptor | EC50 | = | 46.0 | nM | 7.34 | Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase ... | 27589480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27589480 | 10.1021/acs.jmedchem.6b00379 | Rattus norvegicus | 4 |
| 27589480 | 10.1021/acs.jmedchem.6b00379 | KiSS-1 receptor | 2 |
| 27589480 | 10.1021/acs.jmedchem.6b00379 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine