Compound Detail
CHEMBL4166161
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4166161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBWUFPXBZXKQCJ-IQWHUFFXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1111.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 7.73 | 7.73 | 18.6 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 7.46 | 7.46 | 34.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 1 | EC50 | = | 18.6 | nM | 7.73 | Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction ... | 29329072 |
| Neuromedin-U receptor 2 | EC50 | = | 34.3 | nM | 7.46 | Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction ... | 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 |
Data from ChEMBL 36 via Core Engine