CHEMBL4575678


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIKey XOXIGOYEWHFRCB-GORMCOKISA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 21
Molecular weight (Da) 851.4

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
κ OPRK Guinea pig Opioid A pKi 7.2 7.2 7.2 ChEMBL
μ OPRM Rat Opioid A pKi 8.68 8.68 8.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Rat Cannabinoid A pEC50 6.17 6.17 6.17 ChEMBL
CB1 CNR1 Rat Cannabinoid A pEC50 6.42 6.42 6.42 ChEMBL
μ OPRM Rat Opioid A pEC50 5.83 5.83 5.83 ChEMBL