CHEMBL266314


SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O
InChIKey XLXSAKCOAKORKW-YBKDWAIYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 16
Rotatable bonds 31
Molecular weight (Da) 1181.6

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
κ OPRK Human Opioid A pKi 10.4 10.4 10.4 ChEMBL
NOP OPRX Human Opioid A pKi 7.1 7.1 7.1 ChEMBL
μ OPRM Rat Opioid A pKi 9.77 9.77 9.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database