rolapitant


SMILES O=C1CC[C@@]2(N1)CC[C@@](NC2)(CO[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccccc1
InChIKey FIVSJYGQAIEMOC-ZGNKEGEESA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 500.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 8.04 8.04 8.04 Drug Central
NK1 NK1R Human Tachykinin A pKi 9.18 9.18 9.18 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.18 9.18 9.18 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database