R116031


SMILES O=C(Nc1c(C)cccc1C)CN1CCN(CC1)[C@H]1CCN([C@@H](C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChIKey KHOXGPDKCIQOOR-XZWHSSHBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 660.3

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 9.35 9.35 9.35 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database