Compound Detail
CHEMBL4073508
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CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)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(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL4073508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYUFJFIIBPIEPY-AUUUUFBLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1813.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 2 CHEMBL3351217 | EC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 8.46 | 8.46 | 3.5 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 7.35 | 7.35 | 45.0 | 1 |
| Neuromedin-U receptor 1 CHEMBL3351216 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 2 | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in i... | 28935264 |
| Neuromedin-U receptor 2 | EC50 | = | 3.5 | nM | 8.46 | Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in i... | 28935264 |
| Neuromedin-U receptor 1 | EC50 | = | 45.0 | nM | 7.35 | Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in i... | 28935264 |
| Neuromedin-U receptor 1 | EC50 | = | 80.0 | nM | 7.1 | Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in i... | 28935264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28935264 | 10.1016/j.bmcl.2017.09.019 | Mus musculus | 3 |
| 28935264 | 10.1016/j.bmcl.2017.09.019 | Neuromedin-U receptor 1 | 2 |
| 28935264 | 10.1016/j.bmcl.2017.09.019 | Neuromedin-U receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine