CHEMBL54622
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O |
| InChIKey | RCHZNZRDPVGELR-DZUOILHNSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 22 |
| Molecular weight (Da) | 697.4 |
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 |
| NK2 | NK2R | Rat | Tachykinin | A | pEC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
| NK1 | NK1R | Guinea pig | Tachykinin | A | pEC50 | 8.16 | 8.16 | 8.16 | ChEMBL |