CHEMBL3597083


SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[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)C(N)=O
InChIKey ZZMLDIIIAOTFLN-POTQIHQISA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 16
Rotatable bonds 25
Molecular weight (Da) 1009.4

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
κ OPRK Human Opioid A pKi 7.38 7.38 7.38 ChEMBL
μ OPRM Human Opioid A pKi 8.3 8.3 8.3 ChEMBL
δ OPRD Human Opioid A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database