Compound Detail
CHEMBL4100718
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4100718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQAIPFHUNHADPM-RYEHYUSPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1467.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 2 CHEMBL3351217 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 9.13 | 9.13 | 0.7 | 1 |
| Neuromedin-U receptor 1 CHEMBL3351216 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 2 | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of ... | 28657315 |
| Neuromedin-U receptor 2 | EC50 | = | 0.74 | nM | 9.13 | Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of ... | 28657315 |
| Neuromedin-U receptor 1 | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at mouse NMUR1 expressed in CHO cells assessed as induction of ... | 28657315 |
| Neuromedin-U receptor 1 | EC50 | = | 42.0 | nM | 7.38 | Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of ... | 28657315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28657315 | 10.1021/acs.jmedchem.7b00330 | Neuromedin-U receptor 1 | 2 |
| 28657315 | 10.1021/acs.jmedchem.7b00330 | Neuromedin-U receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine