CHEMBL126688


SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1
InChIKey VAIUHFYOMQHXGV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 375.1

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
κ OPRK Guinea pig Opioid A pKi 8.76 8.76 8.76 ChEMBL
κ OPRK Human Opioid A pKi 9.35 9.35 9.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database