HERKINORIN


SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey PYDQMXRFUVDCHC-XAGHGKQISA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 494.2

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
δ OPRD Human Opioid A pKi 5.93 5.93 5.93 ChEMBL
κ OPRK Human Opioid A pKi 7.05 7.05 7.05 ChEMBL
μ OPRM Human Opioid A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.88 6.18 6.77 ChEMBL
μ OPRM Human Opioid A pEC50 5.47 6.35 7.4 ChEMBL