Chembl337465
Chemical Properties
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O |
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 21 |
| Molecular weight | 763.4 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | URIRKOHAMZPMCD-SUUSVYONSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK2 | NK2R | Rat | Tachykinin | A | pEC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| NK1 | NK1R | Guinea pig | Tachykinin | A | pEC50 | 4.42 | 4.42 | 4.42 | ChEMBL |