CHEMBL385316


SMILES Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314
InChIKey YBCPRAGWOJKBRH-OSLYBJCVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 514.3

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 8.51 8.51 8.51 ChEMBL
κ OPRK Human Opioid A pKi 7.6 7.6 7.6 ChEMBL
μ OPRM Human Opioid A pKi 7.73 7.73 7.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.17 7.17 7.17 ChEMBL
κ OPRK Human Opioid A pEC50 7.26 7.26 7.26 ChEMBL