Active Ingredient History

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Nepadutant (INN) (code name MEN-11420) is a glycosylated bicyclic cyclohexapeptide drug which acts as a highly selective NK2 receptor antagonist. It was developed by the Menarini Group and investigated for the treatment of functional gastrointestinal disorders and asthma but was never marketed.   Wikipedia

  • SMILES: CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(=O)C)NC1=O)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](Cc6ccccc6)C(=O)N2
  • InChIKey: NGCNKEZHGRXHNL-WVWQGFTISA-N
  • Mol. Mass: 947.02
  • ALogP: -4.11
  • ChEMBL Molecule:
More Chemistry
cyclo(asn(2-deoxy-2-acnh-beta-d-glc)-asp-trp-phe-dap-leu)cyclo(2beta,5beta) | men 11420 | men-11,420 | nepadutant

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