CHEMBL224671


SMILES O=C(CCCCCCCCC(=O)Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3
InChIKey RKPUOYPULMDEJF-ZOSWCECTSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 834.5

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 Human Opioid A pKi 9.47 9.47 9.47 ChEMBL
μ OPRM Human Opioid A pKi 9.34 9.34 9.34 ChEMBL
δ OPRD Human Opioid A pKi 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pIC50 6.22 6.22 6.22 ChEMBL
κ OPRK Human Opioid A pEC50 8.49 8.49 8.49 ChEMBL
μ OPRM Human Opioid A pIC50 7.75 7.75 7.75 ChEMBL