CHEMBL336849
SMILES | CCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](CC(C)C)C(N)=O |
InChIKey | GGUJARYCOWWRCL-CEQHRARPSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 9 |
Rotatable bonds | 25 |
Molecular weight (Da) | 762.5 |
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 | Golden hamster | Tachykinin | A | pIC50 | 6.56 | 6.56 | 6.56 | ChEMBL |