3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]benzamide; oxalic acid


SMILES C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC(=C(C=C7)Cl)Cl.C(=O)(C(=O)O)O
InChIKey DAAAXDDYDRQHMJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 604.1

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 9.0 9.0 9.0 PDSP Ki database
κ OPRK Human Opioid A pKi 9.47 9.47 9.47 PDSP Ki database
μ OPRM Human Opioid A pKi 9.32 9.32 9.32 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database