1.0 2026-04-05 13:58:50 UTC 2026-08-22 10:54:31 UTC Naldemedine SmallMolecule Naldemedine belongs to the morphinans, a class of alkaloids and derivatives within the organic compounds. With an average molecular weight of 570.65 g/mol, Naldemedine is a heavy molecule. It has the chemical formula C32H34N4O6. This compound is used in healthcare, pharmaceuticals, and veterinary products as a drug for constipation and is administered via the oral exposure route. Naldemedine acts as an antagonist for three protein targets: the Mu-type opioid receptor (OPRM1), the Delta-type opioid receptor (OPRD1), and the Kappa-type opioid receptor (OPRK1). C32H34N4O6 570.646 570.2478348 916072-89-4 [H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1 AXQACEQYCPKDMV-RZAWKFBISA-N Detected and Not Quantified Naldemedine Opioid Antagonist Action Pathway SMP0126337 Naldemedine Drug Metabolism Action Pathway SMP0144759 logp 2.43 average_mass 570.646 ChemAxon mono_mass 570.2478348 ChemAxon smiles [H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O ChemAxon formula C32H34N4O6 ChemAxon inchi InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1 ChemAxon inchikey AXQACEQYCPKDMV-RZAWKFBISA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226717bc8> DB11691 54732242 BE0000770 BE0000420 BE0000632