CHEMBL4112220


SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@@H]2COC[C@H]1C[C@@H](n1c(=O)c(N4CC[C@H]4C(=O)O)nc4ccccc41)C2)C3
InChIKey WNIKNGMOHBBZMW-ZXDPNDLZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 518.3

Drug properties

Molecular type Small molecule
Endogenous/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 5.12 5.12 5.12 ChEMBL
κ OPRK Human Opioid A pKi 5.15 5.15 5.15 ChEMBL
μ OPRM Human Opioid A pKi 5.55 5.55 5.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database