(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-16-carboxamide


SMILES C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)C(=O)N)O5)O)C8=CC=CC=C8N6
InChIKey GXKIGKDMKQQKJN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 441.2

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
δ OPRD Human Opioid A pKi 9.52 9.52 9.52 PDSP Ki database
κ OPRK Human Opioid A pKi 7.33 7.33 7.33 PDSP Ki database
μ OPRM Human Opioid A pKi 7.34 7.34 7.34 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database