CHEMBL311917
SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O |
InChIKey | WLGDNOCWZZOAOT-IIZANFQQSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 6 |
Rotatable bonds | 21 |
Molecular weight (Da) | 710.3 |
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 |
NK3 | NK3R | Guinea pig | Tachykinin | A | pEC50 | 7.9 | 7.9 | 7.9 | ChEMBL |
NK1 | NK1R | Guinea pig | Tachykinin | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |