CHEMBL4073946
| SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O |
| InChIKey | KVUFNFVMLPPTDD-JUSWCQPHSA-N |
Chemical properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 18 |
| Rotatable bonds | 36 |
| Molecular weight (Da) | 1155.6 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NMU1 | NMUR1 | Mouse | Neuromedin U | A | pEC50 | 9.16 | 9.16 | 9.16 | ChEMBL |
| NMU2 | NMUR2 | Mouse | Neuromedin U | A | pEC50 | 10.28 | 10.28 | 10.28 | ChEMBL |
| NMU1 | NMUR1 | Human | Neuromedin U | A | pEC50 | 9.11 | 9.11 | 9.11 | ChEMBL |
| NMU2 | NMUR2 | Human | Neuromedin U | A | pEC50 | 9.39 | 9.39 | 9.39 | ChEMBL |