IS1


SMILES O=C(/C(=C/c1ccco1)/NC(=O)c1ccccc1)NCc1cccnc1
InChIKey ANTQNDKESCDJPE-PDGQHHTCSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 347.1

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
κ OPRK Guinea pig Opioid A pKi 6.82 6.82 6.82 ChEMBL
κ OPRK Human Opioid A pKi 6.04 6.04 6.04 ChEMBL
μ OPRM Human Opioid A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database