CHEMBL1774947


SMILES CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCC[C@@]2(OC)[C@@H](C4)N(CC2CCC2)CC5)cc13
InChIKey OHXOHFFJLNRYPZ-YWQRWGLESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 17
Molecular weight (Da) 848.6

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 7.89 7.89 7.89 ChEMBL
κ OPRK Human Opioid A pKi 9.43 9.43 9.43 ChEMBL
μ OPRM Human Opioid A pKi 9.59 9.59 9.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.62 8.62 8.62 ChEMBL
κ OPRK Human Opioid A pIC50 7.77 7.77 7.77 ChEMBL
μ OPRM Human Opioid A pEC50 8.74 8.74 8.74 ChEMBL
μ OPRM Human Opioid A pIC50 6.58 6.58 6.58 ChEMBL