samidorphan


SMILES O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O
InChIKey RYIDHLJADOKWFM-MAODMQOUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 370.2

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 8.59 8.59 8.59 ChEMBL
κ OPRK Human Opioid A pKi 9.64 9.64 9.64 ChEMBL
μ OPRM Human Opioid A pKi 10.28 10.28 10.28 ChEMBL
δ OPRD Human Opioid A pKi 8.07 8.07 8.07 Drug Central
δ OPRD Human Opioid A pKi 8.59 8.59 8.59 Guide to Pharmacology
κ OPRK Human Opioid A pKi 8.02 8.02 8.02 Drug Central
κ OPRK Human Opioid A pKi 9.64 9.64 9.64 Guide to Pharmacology
μ OPRM Human Opioid A pKi 7.99 7.99 7.99 Drug Central
μ OPRM Human Opioid A pKi 10.28 10.28 10.28 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.74 8.74 8.74 ChEMBL
δ OPRD Human Opioid A pIC50 8.16 8.16 8.16 ChEMBL
κ OPRK Human Opioid A pIC50 7.42 7.42 7.42 ChEMBL
κ OPRK Human Opioid A pEC50 8.48 8.48 8.48 ChEMBL
μ OPRM Human Opioid A pIC50 9.06 9.06 9.06 ChEMBL