Compound Detail
CHEMBL2347660
UPEROLEIN Enter ChEMBL ID:
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2347660 |
| Name | UPEROLEIN |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NYXNXUIHCVDPPH-MFFBADCGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1206.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.92
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | EC50 | 9.92 | 9.92 | 0.1 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | EC50 | = | 0.12 | nM | 9.92 | Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as c... | 23473945 |
| Neuromedin-K receptor | IC50 | = | 82.0 | nM | 7.09 | Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected... | 23473945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23473945 | 10.1016/j.bmc.2013.01.036 | Neuromedin-K receptor | 2 |
| 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