CHEMBL1205204


SMILES O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12
InChIKey XWSOHSQAJGNFGQ-XFJIVUHKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 810.3

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
NK3 NK3R Rat Tachykinin A pKi 8.26 8.26 8.26 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKi 8.28 8.28 8.28 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.38 5.38 5.38 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.05 8.34 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database