CHEMBL335248
SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(C)C)C(N)=O |
InChIKey | AXBNZSCWPTYORA-MGDCHWCSSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 22 |
Molecular weight (Da) | 663.4 |
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 | 7.03 | 7.03 | 7.03 | ChEMBL |
NK1 | NK1R | Guinea pig | Tachykinin | A | pEC50 | 7.07 | 7.07 | 7.07 | ChEMBL |