Compound Detail
CHEMBL373569
ELEDOISIN 🧪 Phase II
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🧪 Phase II
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL373569 |
| Name | ELEDOISIN |
| Phase | Phase II |
| Structure Type | BOTH |
| InChI Key | AYLPVIWBPZMVSH-FCKMLYJASA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
5
Known Names
Molecular Properties
1188.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Activity Summary
EC50 3 meas. best 9.66
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | EC50 | 9.66 | 8.6933 | 0.2 | 3 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | EC50 | = | 0.22 | nM | 9.66 | Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as c... | 23473945 |
| Neuromedin-K receptor | EC50 | = | 5.7 | nM | 8.24 | Activity at human NK3 receptor assessed as stimulation of inositol phosphate gen... | 16950620 |
| Neuromedin-K receptor | EC50 | = | 6.6 | nM | 8.18 | Activity at human NK3 receptor expressed in CHO cells assessed as increase in in... | 16950617 |
| Neuromedin-K receptor | IC50 | = | 96.0 | nM | 7.02 | Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected... | 23473945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6182294 | 10.1021/jm00351a001 | Rattus norvegicus | 3 |
| 6182294 | 10.1021/jm00351a001 | Cavia porcellus | 2 |
| 23473945 | 10.1016/j.bmc.2013.01.036 | Neuromedin-K receptor | 2 |
| 6182294 | 10.1021/jm00351a001 | Cricetinae gen. sp. | 1 |
| 6182294 | 10.1021/jm00351a001 | Substance-P receptor | 1 |
| 11063617 | 10.1021/jm000168v | Oryctolagus cuniculus | 1 |
| 7693945 | 10.1021/jm00073a022 | Neuromedin-K receptor | 1 |
| 16950617 | 10.1016/j.bmcl.2006.08.085 | Neuromedin-K receptor | 1 |
| 16950620 | 10.1016/j.bmcl.2006.08.086 | Neuromedin-K receptor | 1 |
| 23473945 | 10.1016/j.bmc.2013.01.036 | Substance-K receptor | 1 |
| 23473945 | 10.1016/j.bmc.2013.01.036 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine