Compound Detail
CHEMBL4175581
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CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
Basic Information
| ChEMBL ID | CHEMBL4175581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRGCZQNCQLHYRL-QVWIHFFISA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1167.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.36
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 1 CHEMBL1075178 | IC50 | 7.67 | 7.67 | 21.3 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | IC50 | 6.49 | 6.49 | 327.5 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 6.36 | 6.36 | 440.8 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 6.07 | 6.07 | 843.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 1 | IC50 | = | 21.3 | nM | 7.67 | Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hr... | 29795766 |
| Neuromedin-U receptor 2 | IC50 | = | 327.5 | nM | 6.49 | Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hr... | 29795766 |
| Neuromedin-U receptor 2 | EC50 | = | 440.8 | nM | 6.36 | Agonist activity at human NMUR2 expressed in HEK293 cells assessed as IP3 accumu... | 29795766 |
| Neuromedin-U receptor 1 | EC50 | = | 843.0 | nM | 6.07 | Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumu... | 29795766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795766 | 10.1021/acsmedchemlett.8b00105 | Neuromedin-U receptor 1 | 3 |
| 29795766 | 10.1021/acsmedchemlett.8b00105 | Neuromedin-U receptor 2 | 3 |
| 29795766 | 10.1021/acsmedchemlett.8b00105 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine