Compound Detail
CHEMBL3425593
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N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3425593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZCCKCLHNUSAMQ-DUGSHLAESA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1016.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-U receptor 1 CHEMBL1075178 | EC50 | 10.08 | 10.08 | 0.1 | 1 |
| Neuromedin-U receptor 2 CHEMBL1075144 | EC50 | 8.59 | 8.59 | 2.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5300.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 3.19 | ml/min | Rattus norvegicus |
| MRT | 0.1917 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-U receptor 1 | EC50 | = | 0.083 | nM | 10.08 | Agonist activity at human NMUR1 expressed in CHO cells assessed as intracellular... | 25815150 |
| Neuromedin-U receptor 2 | EC50 | = | 2.6 | nM | 8.59 | Agonist activity at human NMUR2 expressed in CHO cells assessed as intracellular... | 25815150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25815150 | 10.1021/ml500494j | Serum | 4 |
| 25815150 | 10.1021/ml500494j | Neuromedin-U receptor 2 | 3 |
| 25815150 | 10.1021/ml500494j | Neuromedin-U receptor 1 | 3 |
| 28548497 | 10.1021/acs.jmedchem.7b00694 | Rattus norvegicus | 3 |
| 28548497 | 10.1021/acs.jmedchem.7b00694 | Neuromedin-U receptor 2 | 1 |
| 28548497 | 10.1021/acs.jmedchem.7b00694 | Neuromedin-U receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine