{"atc_classifications": ["H01CA02"], "availability_type": 1, "biotherapeutic": {"biocomponents": [], "description": "NAFARELIN", "helm_notation": "PEPTIDE1{[Glp].H.W.S.Y.[d1-Nal].L.R.P.G.[am]}$$$$", "molecule_chembl_id": "CHEMBL1201309"}, "black_box_warning": 0, "chemical_probe": 0, "chirality": 1, "cross_references": [], "dosed_ingredient": false, "first_approval": 1990, "first_in_class": 0, "helm_notation": "PEPTIDE1{[Glp].H.W.S.Y.[d1-Nal].L.R.P.G.[am]}$$$$", "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL1201309", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1201309", "molecule_chembl_id": "CHEMBL1201309", "parent_chembl_id": "CHEMBL1201309"}, "molecule_properties": {"alogp": null, "aromatic_rings": null, "full_molformula": "C66H83N17O13", "full_mwt": "1322.50", "hba": null, "hbd": null, "heavy_atoms": null, "mw_freebase": "1322.50", "np_likeness_score": null, "num_ro5_violations": null, "psa": null, "qed_weighted": null, "ro3_pass": null, "rtb": null}, 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10.1158 -11.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7320 -10.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7320 -10.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3440 -9.7964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3440 -9.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9560 -8.7339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7320 -8.7339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6625 -11.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2745 -12.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8907 -11.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8907 -11.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2745 -12.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8907 -13.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8907 -14.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5027 -12.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9788 -11.9161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5908 -12.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2070 -11.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2070 -11.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5908 -12.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2070 -14.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8190 -14.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4310 -14.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4310 -13.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8190 -12.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2070 -13.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0472 -14.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1375 -12.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7495 -11.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3657 -12.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3657 -12.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7495 -11.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3657 -10.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2996 -11.9161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9116 -12.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5278 -11.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5278 -11.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9116 -12.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5278 -13.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0942 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-9.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7233 -9.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9125 -13.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2961 -13.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3642 -13.0504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22 21 1 6\n 22 23 1 0\n 23 24 2 0\n 48 47 1 6\n 48 49 1 0\n 49 50 2 0\n 48 51 1 0\n 52 53 2 0\n 53 54 1 0\n 55 52 1 0\n 51 52 1 0\n 60 54 1 0\n 22 25 1 0\n 25 26 1 0\n 26 27 1 0\n 26 28 1 0\n 55 60 2 0\n 55 56 1 0\n 56 57 2 0\n 57 58 1 0\n 58 59 2 0\n 59 60 1 0\n 6 7 1 0\n 7 8 1 0\n 11 10 1 1\n 11 12 1 0\n 12 13 2 0\n 11 14 1 0\n 14 15 1 0\n 15 16 1 0\n 16 17 1 0\n 62 61 1 1\n 62 63 1 0\n 63 64 2 0\n 62 65 1 0\n 66 67 2 0\n 67 68 1 0\n 68 69 2 0\n 69 70 1 0\n 70 66 1 0\n 65 66 1 0\n 71 72 1 0\n 30 29 1 6\n 30 31 1 0\n 31 32 2 0\n 30 33 1 0\n 33 39 1 0\n 72 73 1 0\n 73 74 1 0\n 74 75 1 0\n 75 71 1 0\n 39 34 1 0\n 75 76 2 0\n 34 35 2 0\n 73 77 1 6\n 77 61 1 0\n 35 36 1 0\n 77 78 2 0\n 36 37 2 0\n 63 47 1 0\n 49 41 1 0\n 43 29 1 0\n 37 38 1 0\n 31 79 1 0\n 38 39 2 0\n 80 79 1 6\n 36 40 1 0\n 80 81 1 0\n 81 21 1 0\n 17 18 1 0\n 81 82 2 0\n 18 19 1 0\n 80 83 1 0\n 18 20 2 0\n 83 84 1 0\n 8 9 1 0\n 84 85 2 0\n 9 5 1 0\n 85 86 1 0\n 1 2 1 0\n 86 87 2 0\n 87 89 1 0\n 88 84 1 0\n 42 41 1 1\n 42 43 1 0\n 88 89 1 0\n 43 44 2 0\n 89 90 2 0\n 42 45 1 0\n 90 91 1 0\n 45 46 1 0\n 91 92 2 0\n 2 3 1 0\n 92 93 1 0\n 93 88 2 0\n 23 10 1 0\n 12 9 1 0\n 3 4 2 0\n 8 94 1 1\n 5 6 1 0\n 94 95 2 0\n 94 1 1 0\n 3 96 1 0\nM END\n> \nCHEMBL1201309\n\n> \nNAFARELIN", "standard_inchi": "InChI=1S/C66H83N17O13/c1-36(2)26-48(58(89)76-47(16-8-24-71-66(68)69)65(96)83-25-9-17-54(83)64(95)73-33-55(67)86)77-60(91)50(28-39-12-7-11-38-10-3-4-13-43(38)39)79-59(90)49(27-37-18-20-42(85)21-19-37)78-63(94)53(34-84)82-61(92)51(29-40-31-72-45-15-6-5-14-44(40)45)80-62(93)52(30-41-32-70-35-74-41)81-57(88)46-22-23-56(87)75-46/h3-7,10-15,18-21,31-32,35-36,46-54,72,84-85H,8-9,16-17,22-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,94)(H,79,90)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1", "standard_inchi_key": "PPXLVGBVOZLEIW-ITQXDASVSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Lhrh, 6(d-nal(2))", "syn_type": "OTHER", "synonyms": "LHRH, 6(D-NAL(2))"}, {"molecule_synonym": "Nafarelin", "syn_type": "ATC", "synonyms": "NAFARELIN"}, {"molecule_synonym": "Nafarelin", "syn_type": "BAN", "synonyms": "NAFARELIN"}, {"molecule_synonym": "Nafarelin", "syn_type": "INN", "synonyms": "NAFARELIN"}, {"molecule_synonym": "Nafarelin", "syn_type": "MERCK_INDEX", "synonyms": "NAFARELIN"}, {"molecule_synonym": "Nafarelin", "syn_type": "OTHER", "synonyms": "NAFARELIN"}, {"molecule_synonym": "Nafarelina", "syn_type": "INN_SPANISH", "synonyms": "NAFARELINA"}, {"molecule_synonym": "Nafareline", "syn_type": "INN_FRENCH", "synonyms": "NAFARELINE"}], "molecule_type": "Protein", "natural_product": 0, "oral": false, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "NAFARELIN", "prodrug": 0, "structure_type": "BOTH", "therapeutic_flag": true, "topical": true, "usan_stem": "-relin", "usan_stem_definition": "prehormones or hormone-release stimulating peptides", "usan_substem": "-relin", "usan_year": 1984, "veterinary": 0, "withdrawn_flag": false}