naltrindole


SMILES Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1
InChIKey WIYUZYBFCWCCQJ-IFKAHUTRSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 414.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4EJ4 4N6H

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 9.7 9.7 9.7 Guide to Pharmacology
μ OPRM Human Opioid A pKi 8.2 8.2 8.2 Guide to Pharmacology
δ OPRD Mouse Opioid A pKi 10.7 10.7 10.7 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 7.9 7.9 7.9 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 7.38 7.92 8.91 ChEMBL
μ OPRM Mouse Opioid A pKi 7.78 7.91 8.21 ChEMBL
δ OPRD Mouse Opioid A pKi 8.58 9.61 10.52 ChEMBL
δ OPRD Mouse Opioid A pKd 9.2 9.2 9.2 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.48 7.54 8.33 ChEMBL
μ OPRM Rat Opioid A pKi 6.82 7.75 9.44 ChEMBL
δ OPRD Human Opioid A pKi 8.6 9.78 10.52 ChEMBL
δ OPRD Human Opioid A pKd 7.95 7.95 7.95 ChEMBL
κ OPRK Human Opioid A pKi 7.12 7.93 8.54 ChEMBL
μ OPRM Human Opioid A pKi 6.82 7.91 8.28 ChEMBL
μ OPRM Human Opioid A pKi 7.19 7.83 8.28 PDSP Ki database
δ OPRD Human Opioid A pKi 8.98 9.63 10.7 PDSP Ki database
κ OPRK Human Opioid A pKi 7.18 7.91 8.54 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 8.11 8.11 8.11 PDSP Ki database
δ OPRD Mouse Opioid A pKi 8.83 8.83 8.83 PDSP Ki database
κ OPRK Human Opioid A pKi 8.0 8.0 8.0 Guide to Pharmacology
NOP OPRX Human Opioid A pKi 10.52 10.52 10.52 ChEMBL
κ OPRK Mouse Opioid A pKi 6.45 7.23 8.02 ChEMBL
δ A0A286XTF2 Guinea pig Opioid A pKi 10.05 10.05 10.05 PDSP Ki database
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 Mouse Opioid A pIC50 9.14 9.14 9.14 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 5.7 6.35 7.0 ChEMBL
δ OPRD Human Opioid A pIC50 9.04 9.31 9.49 ChEMBL
δ OPRD Human Opioid A pEC50 9.96 9.96 9.96 ChEMBL
κ OPRK Human Opioid A pEC50 8.3 8.3 8.3 ChEMBL
μ OPRM Human Opioid A pEC50 8.37 8.37 8.37 ChEMBL
NOP OPRX Human Opioid A pEC50 8.41 8.41 8.41 ChEMBL