(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(3-guanidinopropyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-19-((R)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide


SMILES CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C5CC6=CC=CC=C6CN5)(C)C)C(=O)NC(C(C)O)C(=O)N)O
InChIKey VZDYOAZXFPOIMZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 15
Rotatable bonds 15
Molecular weight (Da) 1115.5

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
δ OPRD Human Opioid A pKi 5.84 5.84 5.84 PDSP Ki database
μ OPRM Human Opioid A pKi 8.69 8.69 8.69 PDSP Ki database
κ OPRK Human Opioid A pKi 5.99 5.99 5.99 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database