CHEMBL5853921


SMILES N=C(N)NCCNC(=O)[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C1
InChIKey ZLARBRFVWKMWNZ-BGACZQCLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 6
Molecular weight (Da) 427.3

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
NOP OPRX Human Opioid A pKi 4.99 4.99 4.99 ChEMBL
κ OPRK Human Opioid A pKi 10.01 10.01 10.01 ChEMBL
μ OPRM Human Opioid A pKi 5.11 5.11 5.11 ChEMBL
δ OPRD Human Opioid A pKi 7.71 7.71 7.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 9.07 9.07 9.07 ChEMBL