BAY27-9955


SMILES CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C
InChIKey VDTWKXAPIQBOMO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 342.2

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
NOP OPRX Human Opioid A pKi 9.52 9.52 9.52 ChEMBL
δ OPRD Human Opioid A pKi 5.54 5.54 5.54 ChEMBL
δ OPRD Human Opioid A pKi 5.54 5.54 5.54 Guide to Pharmacology
κ OPRK Human Opioid A pKi 6.88 6.88 6.88 ChEMBL
κ OPRK Human Opioid A pKi 6.88 6.88 6.88 Guide to Pharmacology
μ OPRM Human Opioid A pKi 7.19 7.19 7.19 ChEMBL
μ OPRM Human Opioid A pKi 7.19 7.19 7.19 Guide to Pharmacology
NOP OPRX Human Opioid A pKi 9.52 9.52 9.52 Guide to Pharmacology
NOP OPRX Rat Opioid A pKi 9.38 9.38 9.38 Guide to Pharmacology
NOP OPRX Mouse Opioid A pKi 8.94 8.94 8.94 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.92 7.92 7.92 ChEMBL
μ OPRM Human Opioid A pEC50 6.16 6.16 6.16 ChEMBL
NOP OPRX Human Opioid A pEC50 7.92 7.92 7.92 Guide to Pharmacology