nalbuphine


SMILES O[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CCC2)ccc1O)O
InChIKey NETZHAKZCGBWSS-CEDHKZHLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 357.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 6.24 6.24 6.24 Guide to Pharmacology
κ OPRK Human Opioid A pKi 7.4 7.45 7.5 Guide to Pharmacology
μ OPRM Human Opioid A pKi 8.8 8.8 8.8 Guide to Pharmacology
δ OPRD Human Opioid A pKi 6.18 6.39 6.62 ChEMBL
κ OPRK Human Opioid A pKi 7.36 8.02 8.66 ChEMBL
μ OPRM Human Opioid A pKi 7.84 8.42 9.05 ChEMBL
μ OPRM Human Opioid A pKi 7.96 8.6 9.05 PDSP Ki database
δ OPRD Human Opioid A pKi 6.0 6.29 6.62 PDSP Ki database
κ OPRK Human Opioid A pKi 8.41 8.53 8.66 PDSP Ki database
μ OPRM Human Opioid A pKi 8.06 8.06 8.06 Drug Central
κ OPRK Human Opioid A pKi 8.1 8.1 8.1 Drug Central
δ OPRD Human Opioid A pKi 8.22 8.22 8.22 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 7.4 7.4 7.4 Guide to Pharmacology
δ OPRD Human Opioid A pIC50 5.72 6.08 6.45 ChEMBL
κ OPRK Human Opioid A pIC50 6.96 7.02 7.08 ChEMBL
κ OPRK Human Opioid A pEC50 6.6 7.24 7.6 ChEMBL
μ OPRM Human Opioid A pEC50 7.34 7.59 7.85 ChEMBL
μ OPRM Human Opioid A pIC50 6.12 7.34 9.0 ChEMBL
κ OPRK Mouse Opioid A pIC50 8.13 8.13 8.13 Drug Central