β-FNA


SMILES COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O
InChIKey PQKHESYTSKMWFP-WZJCLRDWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 454.2

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
δ OPRD Human Opioid A pKi 7.9 7.9 7.9 Guide to Pharmacology
μ OPRM Human Opioid A pKi 9.5 9.5 9.5 Guide to Pharmacology
μ OPRM Mouse Opioid A pKi 9.5 9.5 9.5 Guide to Pharmacology
δ OPRD Human Opioid A pKi 7.56 7.59 7.65 ChEMBL
κ OPRK Human Opioid A pKi 9.03 9.03 9.03 ChEMBL
κ OPRK Human Opioid A pKi 9.7 9.7 9.7 Guide to Pharmacology
μ OPRM Human Opioid A pKi 9.39 9.39 9.39 ChEMBL
κ OPRK Guinea pig Opioid A pKi 7.18 8.43 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pIC50 7.09 7.09 7.09 ChEMBL