{"atc_classifications": [], "availability_type": null, "biotherapeutic": {"biocomponents": [], "description": "LARAZOTIDE", "helm_notation": "PEPTIDE1{G.G.V.L.V.Q.P.G}$$$$", "molecule_chembl_id": "CHEMBL2105646"}, "black_box_warning": 0, "chemical_probe": 0, "chirality": 1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": 0, "helm_notation": "PEPTIDE1{G.G.V.L.V.Q.P.G}$$$$", "inorganic_flag": 0, "max_phase": "3.0", "molecule_chembl_id": "CHEMBL2105646", "molecule_hierarchy": {"active_chembl_id": "CHEMBL2105646", "molecule_chembl_id": "CHEMBL2105646", "parent_chembl_id": "CHEMBL2105646"}, "molecule_properties": {"alogp": "-3.18", "aromatic_rings": 0, "full_molformula": "C32H55N9O10", "full_mwt": "725.85", "hba": 10, "hbd": 9, "heavy_atoms": 51, "mw_freebase": "725.85", "np_likeness_score": "-0.29", "num_ro5_violations": 2, "psa": "301.32", "qed_weighted": "0.06", "ro3_pass": "N", "rtb": 21}, "molecule_structures": {"canonical_smiles": "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C", "molfile": "\n RDKit 2D\n\n 51 51 0 0 1 0 0 0 0 0999 V2000\n -1.5118 -13.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3372 -12.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5516 -11.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3770 -11.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0594 -12.5237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8450 -12.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4560 -12.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2814 -13.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2416 -12.5741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8526 -13.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6780 -13.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2890 -14.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8924 -14.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6381 -12.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8127 -12.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2491 -13.4308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0347 -13.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2093 -12.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9949 -12.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1695 -11.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6059 -12.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6457 -13.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4712 -14.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4313 -13.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0423 -14.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8677 -14.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4787 -15.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0822 -15.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8279 -13.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0025 -12.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4389 -14.3379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2245 -14.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3991 -13.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1846 -13.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3592 -12.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7482 -11.6669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1448 -11.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8355 -14.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6609 -15.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6211 -14.3883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8790 -13.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7040 -13.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9559 -14.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2867 -14.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2836 -15.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.5675 -16.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9965 -16.1159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7125 -15.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4254 -16.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1414 -15.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4223 -16.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 1 0\n 3 4 2 0\n 3 5 1 0\n 5 6 1 0\n 6 7 1 0\n 7 8 2 0\n 7 9 1 0\n 10 9 1 6\n 10 11 1 0\n 11 12 1 0\n 11 13 1 0\n 10 14 1 0\n 14 15 2 0\n 14 16 1 0\n 17 16 1 1\n 17 18 1 0\n 18 19 1 0\n 19 20 1 0\n 19 21 1 0\n 17 22 1 0\n 22 23 2 0\n 22 24 1 0\n 25 24 1 6\n 25 26 1 0\n 26 27 1 0\n 26 28 1 0\n 25 29 1 0\n 29 30 2 0\n 29 31 1 0\n 32 31 1 1\n 32 33 1 0\n 33 34 1 0\n 34 35 1 0\n 35 36 1 0\n 35 37 2 0\n 32 38 1 0\n 38 39 2 0\n 38 40 1 0\n 40 41 1 0\n 41 42 1 0\n 42 43 1 0\n 43 44 1 0\n 40 44 1 0\n 44 45 1 1\n 45 46 2 0\n 45 47 1 0\n 47 48 1 0\n 48 49 1 0\n 49 50 2 0\n 49 51 1 0\nM END\n> \nCHEMBL2105646\n\n> \nLARAZOTIDE", "standard_inchi": "InChI=1S/C32H55N9O10/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46)/t19-,20-,21-,26-,27-/m0/s1", "standard_inchi_key": "ORFLZNAGUTZRLQ-ZMBVWFSWSA-N"}, "molecule_synonyms": [{"molecule_synonym": "AT-2347", "syn_type": "RESEARCH_CODE", "synonyms": "AT-2347"}, {"molecule_synonym": "Larazotida", "syn_type": "INN_SPANISH", "synonyms": "LARAZOTIDA"}, {"molecule_synonym": "Larazotide", "syn_type": "INN", "synonyms": "LARAZOTIDE"}, {"molecule_synonym": "Larazotide", "syn_type": "OTHER", "synonyms": "LARAZOTIDE"}, {"molecule_synonym": "Larazotide", "syn_type": "USAN", "synonyms": "LARAZOTIDE"}], "molecule_type": "Protein", "natural_product": 1, "oral": false, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "LARAZOTIDE", "prodrug": 0, "structure_type": "BOTH", "therapeutic_flag": false, "topical": false, "usan_stem": "-tide", "usan_stem_definition": "peptides: zonulin antagonists", "usan_substem": "-tide (-zotide)", "usan_year": 2007, "veterinary": 0, "withdrawn_flag": false}