lanepitant


SMILES COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1
InChIKey CVXJAPZTZWLRBP-MUUNZHRXSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 559.4

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
NK1 NK1R Human Tachykinin A pKd 9.4 9.4 9.4 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.8 9.9 10.0 Guide to Pharmacology
NK3 NK3R Rat Tachykinin A pKd 4.7 4.7 4.7 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 4.7 4.7 4.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.64 9.73 9.82 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 9.82 9.82 9.82 Guide to Pharmacology