Compound Detail
CHEMBL4170275
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CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)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 | CHEMBL4170275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEMXGOSFSCLNOU-XJIZABAQSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1225.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.43
IC50 2 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 1 CHEMBL1075178 | IC50 | 9.27 | 9.27 | 0.5 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 8.43 | 8.43 | 3.7 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 5.7 | 5.7 | 1993.0 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | IC50 | 5.54 | 5.54 | 2869.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.358 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 1 | IC50 | = | 0.54 | nM | 9.27 | Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hr... | 29795766 |
| Neuromedin-U receptor 1 | EC50 | = | 3.7 | nM | 8.43 | Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumu... | 29795766 |
| Neuromedin-U receptor 2 | EC50 | = | 1993.0 | nM | 5.7 | Agonist activity at human NMUR2 expressed in HEK293 cells assessed as IP3 accumu... | 29795766 |
| Neuromedin-U receptor 2 | IC50 | = | 2869.0 | nM | 5.54 | Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hr... | 29795766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795766 | 10.1021/acsmedchemlett.8b00105 | Neuromedin-U receptor 2 | 4 |
| 29795766 | 10.1021/acsmedchemlett.8b00105 | Neuromedin-U receptor 1 | 3 |
| 29795766 | 10.1021/acsmedchemlett.8b00105 | Unchecked | 1 |
| 29795766 | 10.1021/acsmedchemlett.8b00105 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine