MB-28767


SMILES OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O
InChIKey NZGFSDWJUZOAAX-KAVAACISSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 374.2

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
D2 DRD2 Human Dopamine A pKi 6.35 6.35 6.35 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.55 6.55 6.55 Guide to Pharmacology
κ OPRK Human Opioid A pKi 9.31 9.31 9.31 Guide to Pharmacology
μ OPRM Human Opioid A pKi 6.27 6.27 6.27 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.55 6.55 6.55 ChEMBL
κ OPRK Human Opioid A pKi 9.31 9.31 9.31 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.35 6.35 6.35 ChEMBL
μ OPRM Human Opioid A pKi 6.27 6.27 6.27 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.44 8.44 8.44 Guide to Pharmacology
D3 DRD3 Human Dopamine A pIC50 6.02 6.02 6.02 ChEMBL
κ OPRK Human Opioid A pEC50 6.33 7.69 8.44 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.78 5.78 5.78 ChEMBL