CHEMBL1835845


SMILES O=C(COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey ISKBUGHVJHBDHX-LHEWISCISA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 808.3

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 pKi 7.51 7.51 7.51 ChEMBL
μ OPRM Rat Opioid A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database