5'-guanidinonaltrindole


SMILES NC(=Nc1ccc2c(c1)c1C[C@@]3(O)[C@H]4Cc5c6[C@]3([C@H](c1[nH]2)Oc6c(O)cc5)CCN4CC1CC1)N
InChIKey VLNHDKDBGWXJEE-GYHUNEDQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 3
Molecular weight (Da) 471.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKd 7.81 7.81 7.81 ChEMBL
κ OPRK Human Opioid A pKi 9.72 9.77 9.82 ChEMBL
κ OPRK Human Opioid A pKd 10.4 10.4 10.4 ChEMBL
κ OPRK Human Opioid A pKi 9.74 9.82 9.9 Guide to Pharmacology
μ OPRM Human Opioid A pKd 8.49 8.49 8.49 ChEMBL
δ OPRD Mouse Opioid A pKi 7.33 7.97 8.96 ChEMBL
μ OPRM Rat Opioid A pKi 7.0 8.16 10.05 ChEMBL
κ OPRK Rat Opioid A pKi 7.89 9.45 10.52 ChEMBL
κ OPRK Guinea pig Opioid A pKi 9.74 9.74 9.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL