Compound Detail
CHEMBL4172829
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL4172829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFNUTEQYXZIWFT-MJNVZNKNSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1115.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.73
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 1 CHEMBL1075178 | IC50 | 7.18 | 7.18 | 66.2 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 6.73 | 6.73 | 184.9 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 6.33 | 6.33 | 472.1 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | IC50 | 5.81 | 5.81 | 1546.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 1 | IC50 | = | 66.2 | nM | 7.18 | Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes a... | 29329072 |
| Neuromedin-U receptor 1 | EC50 | = | 184.9 | nM | 6.73 | Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction ... | 29329072 |
| Neuromedin-U receptor 2 | EC50 | = | 472.1 | nM | 6.33 | Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction ... | 29329072 |
| Neuromedin-U receptor 2 | IC50 | = | 1546.0 | nM | 5.81 | Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes a... | 29329072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29329072 | 10.1016/j.ejmech.2017.12.035 | Neuromedin-U receptor 2 | 3 |
| 29329072 | 10.1016/j.ejmech.2017.12.035 | Neuromedin-U receptor 1 | 3 |
| 29329072 | 10.1016/j.ejmech.2017.12.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine