CHEMBL203064


SMILES O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
InChIKey HAICMSYYIMFNOF-XAHIPPIJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 715.3

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 pKd 8.9 8.9 8.9 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database