spiradoline


SMILES O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccc(c(c1)Cl)Cl
InChIKey NYKCGQQJNVPOLU-ONTIZHBOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 424.2

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
κ OPRK Rat Opioid A pKi 9.0 9.0 9.0 Guide to Pharmacology
κ OPRK Mouse Opioid A pKi 8.95 8.95 8.95 ChEMBL
κ OPRK Guinea pig Opioid A pKi 7.77 7.92 8.07 ChEMBL
δ OPRD Human Opioid A pKi 5.03 5.03 5.03 ChEMBL
κ OPRK Human Opioid A pKi 8.48 8.48 8.48 ChEMBL
μ OPRM Human Opioid A pKi 7.02 7.02 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 9.0 9.0 9.0 Guide to Pharmacology
κ OPRK Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL
κ OPRK Human Opioid A pIC50 8.08 8.08 8.08 ChEMBL
μ OPRM Human Opioid A pIC50 6.63 6.63 6.63 ChEMBL