CHEMBL305547
SMILES | CN(Cc1ccccc1)C(=O)[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 |
InChIKey | ZGZMSMYIHBAAGT-MPXLCVCVSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 606.2 |
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 |
NK1 | NK1R | Guinea pig | Tachykinin | A | pIC50 | 8.46 | 8.46 | 8.46 | ChEMBL |