CHEMBL2158990


SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIKey TZWYCIMHWJSLEB-LWCONMITSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 14
Rotatable bonds 21
Molecular weight (Da) 1033.4

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 5.32 5.32 5.32 ChEMBL
κ OPRK Human Opioid A pKi 5.8 5.8 5.8 ChEMBL
μ OPRM Human Opioid A pKi 7.83 7.83 7.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pIC50 6.23 6.23 6.23 ChEMBL