(1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropylmethyl)-2,7-dihydroxy-19,25-dioxa-9,22,33-triazaundecacyclo[24.9.1.1^{8,14}.0^{1,24}.0^{2,32}.0^{4,23}.0^{5,21}.0^{7,12}.0^{12,20}.0^{13,18}.0^{30,36}]heptatriaconta-13(18),14,16,26(36),27,29-hexaene-17,27-dicarboxamide


SMILES C1CC1CN2CCC34C5C6C(CC3(C2CC7=C4C(=C(C=C7)C(=O)N)O5)O)C8CC9(C1CC2=C3C9(CCN1CC1CC1)C(C8N6)OC3=C(C=C2)C(=O)N)O
InChIKey JVDIYRCPKNTHHT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 719.4

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 6.0 6.0 6.0 PDSP Ki database
μ OPRM Human Opioid A pKi 6.4 6.4 6.4 PDSP Ki database
κ OPRK Human Opioid A pKi 7.68 7.68 7.68 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database