CHEMBL4439431


SMILES COc1ccc2c3c1O[C@H]1/C(=N\OCC(=O)NCCCCCCNC(=O)CCCCCn4cc(C(=O)c5cccc6ccccc56)c5ccccc54)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314
InChIKey DNFQAWUDLDDLDB-BLEUKKESSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 19
Molecular weight (Da) 853.4

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 Guinea pig Opioid A pKi 6.76 6.76 6.76 ChEMBL
μ OPRM Rat Opioid A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Rat Cannabinoid A pEC50 6.47 6.47 6.47 ChEMBL
μ OPRM Rat Opioid A pEC50 6.4 6.4 6.4 ChEMBL