(5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl-17-(cyclobutylmethyl)morphinan-3-yl sebacoylate


SMILES C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OC(=O)CCCCCCCCC(=O)OC5=C6C7=C(CC8C9(C7(CCN8CC1CCC1)C(O6)C(CC9)O)O)C=C5)CC1CCC1
InChIKey RKPUOYPULMDEJF-UHFFFAOYSA-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 PDSP Ki database
μ OPRM Human Opioid A pKi 9.34 9.34 9.34 PDSP Ki database
δ OPRD Human Opioid A pKi 7.55 7.55 7.55 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database