U69593


SMILES O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1
InChIKey PGZRDDYTKFZSFR-ONTIZHBOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 356.2

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
κ OPRK Human Opioid A pKd 8.7 8.75 8.8 Guide to Pharmacology
κ OPRK Human Opioid A pKi 9.5 9.5 9.5 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 8.0 8.35 8.7 Guide to Pharmacology
NOP OPRX Guinea pig Opioid A pKi 5.96 5.96 5.96 ChEMBL
κ OPRK Rat Opioid A pKi 8.24 8.55 8.85 ChEMBL
κ OPRK Rat Opioid A pKd 9.0 9.0 9.0 ChEMBL
μ OPRM Mouse Opioid A pKi 6.26 7.59 8.93 ChEMBL
δ OPRD Mouse Opioid A pKi 6.41 6.41 6.41 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.14 8.86 9.15 ChEMBL
κ OPRK Guinea pig Opioid A pKd 5.31 6.33 8.37 ChEMBL
μ OPRM Rat Opioid A pKi 5.14 5.14 5.14 ChEMBL
δ OPRD Human Opioid A pKd 5.7 5.7 5.7 ChEMBL
δ OPRD Human Opioid A pKi 4.9 5.22 5.87 ChEMBL
κ OPRK Human Opioid A pKi 8.46 8.91 9.52 ChEMBL
μ OPRM Human Opioid A pKi 5.62 5.78 5.94 ChEMBL
μ OPRM Human Opioid A pKi 5.94 5.97 6.0 PDSP Ki database
δ OPRD Human Opioid A pKi 5.0 5.5 6.0 PDSP Ki database
δ A0A286XTF2 Guinea pig Opioid A pKi 5.87 5.87 5.87 PDSP Ki database
κ OPRK Human Opioid A pKi 7.63 8.55 9.52 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 9.15 9.15 9.15 PDSP Ki database
δ OPRD Rat Opioid A pKi 5.43 5.43 5.43 PDSP Ki database
κ OPRK Rat Opioid A pKi 6.23 6.84 8.18 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 8.6 8.6 8.6 Guide to Pharmacology
κ OPRK Rat Opioid A pIC50 9.2 9.2 9.2 ChEMBL
κ OPRK Rat Opioid A pEC50 8.11 8.11 8.11 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 8.68 8.68 8.68 ChEMBL
κ OPRK Guinea pig Opioid A pEC50 5.84 5.84 5.84 ChEMBL
δ OPRD Human Opioid A pIC50 5.23 5.27 5.3 ChEMBL
κ OPRK Human Opioid A pIC50 8.1 8.5 8.7 ChEMBL
κ OPRK Human Opioid A pEC50 6.27 7.62 9.1 ChEMBL
μ OPRM Human Opioid A pIC50 6.6 6.61 6.61 ChEMBL