CHEMBL5271987


SMILES CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NC1(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CNc2[nH]c3ccccc3c2C1
InChIKey PNPDRFDLRYVDNH-SZVSUXHCSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 761.3

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 pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database