CHEMBL453054


SMILES C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey LSOARWGXYKVEEQ-ZNRXUEPQSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 514.2

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
NK3 NK3R Human Tachykinin A pKi 5.9 5.9 5.9 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database