methylnaltrexone


SMILES O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2[N+](CC3)(C)CC2CC2)ccc1O)O
InChIKey JVLBPIPGETUEET-GAAHOAFPSA-O

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 356.2

Drug properties

Molecular type Small molecule
Physiological/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 6.05 6.05 6.05 Guide to Pharmacology
κ OPRK Human Opioid A pKi 8.2 8.2 8.2 Guide to Pharmacology
μ OPRM Human Opioid A pKi 8.7 8.7 8.7 Guide to Pharmacology
κ OPRK Guinea pig Opioid A pKi 7.7 7.7 7.7 ChEMBL
δ OPRD Human Opioid A pKi 5.46 5.91 6.3 ChEMBL
κ OPRK Human Opioid A pKi 7.49 7.84 8.2 ChEMBL
μ OPRM Human Opioid A pKi 8.1 8.28 8.7 ChEMBL
δ OPRD Human Opioid A pKi 8.22 8.22 8.22 Drug Central
κ OPRK Human Opioid A pKi 8.18 8.18 8.18 Drug Central
μ OPRM Human Opioid A pKi 8.12 8.12 8.12 Drug Central
κ OPRK Guinea pig Opioid A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.05 8.05 8.05 ChEMBL
μ OPRM Human Opioid A pIC50 6.77 6.77 6.77 ChEMBL