rauwolscine


SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1
InChIKey BLGXFZZNTVWLAY-DIRVCLHFSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 354.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

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