{"atc_classifications": [], "availability_type": null, "biotherapeutic": {"biocomponents": [{"component_id": 28076, "component_type": "Protein", "description": "Sequence", "organism": null, "sequence": "KFAHA", "tax_id": null}], "description": "IPAMORELIN", "helm_notation": "PEPTIDE1{[Aib].H.[dNal].[dF].K.[am]}$$$$", "molecule_chembl_id": "CHEMBL58547"}, "black_box_warning": 0, "chemical_probe": 0, "chirality": 1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": 0, "helm_notation": "PEPTIDE1{[Aib].H.[dNal].[dF].K.[am]}$$$$", "inorganic_flag": 0, "max_phase": "2.0", "molecule_chembl_id": "CHEMBL58547", "molecule_hierarchy": {"active_chembl_id": "CHEMBL58547", "molecule_chembl_id": "CHEMBL58547", "parent_chembl_id": "CHEMBL58547"}, "molecule_properties": {"alogp": "0.88", "aromatic_rings": 4, "full_molformula": "C38H49N9O5", "full_mwt": "711.87", "hba": 8, "hbd": 8, "heavy_atoms": 52, "mw_freebase": "711.87", "np_likeness_score": "0.00", "num_ro5_violations": 2, "psa": "240.21", "qed_weighted": "0.06", "ro3_pass": "N", "rtb": 19}, "molecule_structures": {"canonical_smiles": "CC(C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O", "molfile": "\n RDKit 2D\n\n 52 55 0 0 1 0 0 0 0 0999 V2000\n 1.2667 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8250 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2958 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2292 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3417 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7875 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9042 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3042 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8667 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5917 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1667 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7542 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0167 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4250 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0667 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3042 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2958 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2667 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3792 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8250 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3417 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8250 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8667 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8250 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9417 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8625 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8625 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4625 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3333 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1625 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4625 -5.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1208 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3958 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4250 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3417 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4625 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3792 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7542 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9417 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9417 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8625 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1500 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0542 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 10 1 0\n 3 11 1 0\n 4 5 1 0\n 5 9 1 0\n 6 2 1 0\n 7 1 1 0\n 8 3 1 0\n 9 1 1 0\n 10 7 1 0\n 11 6 1 0\n 12 20 1 0\n 13 19 1 0\n 14 15 1 0\n 9 15 1 1\n 16 14 1 0\n 17 4 1 0\n 18 16 2 0\n 19 8 1 0\n 20 14 2 0\n 10 21 1 1\n 22 4 2 0\n 23 1 2 0\n 24 3 2 0\n 25 2 2 0\n 26 29 1 0\n 27 21 1 0\n 11 28 1 6\n 29 27 2 0\n 30 13 2 0\n 31 32 1 0\n 32 35 2 0\n 33 13 1 0\n 34 17 1 0\n 35 27 1 0\n 36 28 1 0\n 37 42 1 0\n 38 17 1 0\n 39 17 1 0\n 19 40 1 6\n 41 26 2 0\n 42 47 1 0\n 43 31 2 0\n 44 36 2 0\n 45 36 1 0\n 46 40 1 0\n 47 46 1 0\n 48 41 1 0\n 49 43 1 0\n 50 45 2 0\n 51 44 1 0\n 52 50 1 0\n 18 12 1 0\n 31 26 1 0\n 48 49 2 0\n 51 52 2 0\nM END\n> \nCHEMBL58547\n\n> \nIPAMORELIN", "standard_inchi": "InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1", "standard_inchi_key": "NEHWBYHLYZGBNO-BVEPWEIPSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Aib-his-d-2-nal-d-phe-lys-nh2", "syn_type": "OTHER", "synonyms": "AIB-HIS-D-2-NAL-D-PHE-LYS-NH2"}, {"molecule_synonym": "Ipamorelin", "syn_type": "INN", "synonyms": "IPAMORELIN"}, {"molecule_synonym": "Ipamorelin", "syn_type": "OTHER", "synonyms": "IPAMORELIN"}, {"molecule_synonym": "Ipamorelina", "syn_type": "INN_SPANISH", "synonyms": "IPAMORELINA"}, {"molecule_synonym": "Ipamoreline", "syn_type": "INN_FRENCH", "synonyms": "IPAMORELINE"}, {"molecule_synonym": "NNC 26-0161", "syn_type": "RESEARCH_CODE", "synonyms": "NNC 26-0161"}, {"molecule_synonym": "NNC-26-0161", "syn_type": "RESEARCH_CODE", "synonyms": "NNC-26-0161"}, {"molecule_synonym": "NNC-260161", "syn_type": "RESEARCH_CODE", "synonyms": "NNC-260161"}], "molecule_type": "Protein", "natural_product": 1, "oral": false, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "IPAMORELIN", "prodrug": 0, "structure_type": "BOTH", "therapeutic_flag": false, "topical": false, "usan_stem": "-relin", "usan_stem_definition": "prehormones or hormone-release stimulating peptides: growth hormone-release stimulating peptides", "usan_substem": "-relin (-morelin)", "usan_year": null, "veterinary": 0, "withdrawn_flag": false}