Compound Detail
CHEMBL4169739
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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=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 | CHEMBL4169739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLVKAUDIPGEHHS-IPJHBYGKSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1207.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.74
IC50 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 8.74 | 8.74 | 1.8 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | IC50 | 7.86 | 7.86 | 13.9 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 7.54 | 7.54 | 28.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 23.77 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 2 | EC50 | = | 1.8 | nM | 8.74 | Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction ... | 29329072 |
| Neuromedin-U receptor 1 | IC50 | = | 11.2 | nM | 7.95 | Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes a... | 29329072 |
| Neuromedin-U receptor 2 | IC50 | = | 13.9 | nM | 7.86 | Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes a... | 29329072 |
| Neuromedin-U receptor 1 | EC50 | = | 28.8 | nM | 7.54 | Agonist activity at human NMUR1 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 1 | 3 |
| 29329072 | 10.1016/j.ejmech.2017.12.035 | Neuromedin-U receptor 2 | 3 |
| 29329072 | 10.1016/j.ejmech.2017.12.035 | Unchecked | 1 |
| 29329072 | 10.1016/j.ejmech.2017.12.035 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine