CHEMBL55591


SMILES COc1ccccc1CN[C@@H]1[C@H](c2ccccc2)N[C@H]2CCC[C@H]21
InChIKey NDMOYPJHBNNRIM-ZFMNYDKASA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 322.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 8.47 8.54 8.62 ChEMBL