Chembl2113275


SMILES C=CCN1CC[C@]23c4c5ccc(OC(=O)CCCCCCCCC(=O)Oc6ccc7c(c6)[C@@]68CCCCC6[C@@H](C7)N(CC6CCC6)CC8)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
InChIKey HJZFHFVNSCRUMR-UITDNDJWSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 15
Molecular weight (Da) 804.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 7.41 7.41 7.41 ChEMBL
κ OPRK Human Opioid A pKi 9.89 9.89 9.89 ChEMBL
κ OPRK Human Opioid A pEC50 8.8 8.8 8.8 ChEMBL
μ OPRM Human Opioid A pKi 9.37 9.37 9.37 ChEMBL
μ OPRM Human Opioid A pEC50 8.7 8.7 8.7 ChEMBL
μ OPRM Human Opioid A pIC50 7.6 7.6 7.6 ChEMBL