{"atc_classifications": [], "availability_type": null, "biotherapeutic": {"biocomponents": [{"component_id": 28057, "component_type": "Protein", "description": "Sequence", "organism": null, "sequence": "WAGGDASGE", "tax_id": null}], "description": "EMIDELTIDE", "helm_notation": "PEPTIDE1{W.A.G.G.D.A.S.G.E}$$$$", "molecule_chembl_id": "CHEMBL2104403"}, "black_box_warning": 0, "chemical_probe": 0, "chirality": 1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": 0, "helm_notation": "PEPTIDE1{W.A.G.G.D.A.S.G.E}$$$$", "inorganic_flag": 0, "max_phase": "2.0", "molecule_chembl_id": "CHEMBL2104403", "molecule_hierarchy": {"active_chembl_id": "CHEMBL2104403", "molecule_chembl_id": "CHEMBL2104403", "parent_chembl_id": "CHEMBL2104403"}, "molecule_properties": {"alogp": "-5.73", "aromatic_rings": 2, "full_molformula": "C35H48N10O15", "full_mwt": "848.82", "hba": 13, "hbd": 14, "heavy_atoms": 60, "mw_freebase": "848.82", "np_likeness_score": "0.08", "num_ro5_violations": 3, "psa": "406.74", "qed_weighted": "0.04", "ro3_pass": "N", "rtb": 25}, "molecule_structures": {"canonical_smiles": "C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O", "molfile": "\n     RDKit          2D\n\n 60 61  0  0  1  0  0  0  0  0999 V2000\n   -1.9583    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1542   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9125    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3833   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6083    4.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4000   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0000    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2292   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3750    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3000   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9375   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8375   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7750    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5083    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3042    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5208   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4458    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9708   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8250   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8500    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4333   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9458   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2917    2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6792   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4458    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9833   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9208    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2292    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3667    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0542   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3417    1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7542   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9458    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1750    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4708   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7917    3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5458   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3542   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3750    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1000   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9042    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0500   -5.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4583   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4208   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8375    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8667    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4708   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9833    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0583   -3.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2917   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6000   -4.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1292   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1167   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7208    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2042    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5333    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3250    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7333    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2 11  1  0\n  3 25  1  0\n  4 26  1  0\n  5  3  1  0\n  6  8  1  0\n  7  5  1  1\n  8  1  2  0\n  9  2  1  0\n 10  4  1  0\n 11 16  1  1\n 12  7  1  0\n 13 11  1  0\n 14 29  1  0\n 15  1  1  0\n 16 21  1  0\n 17 27  1  0\n 18  1  1  0\n 19 22  1  0\n 20 13  1  0\n 21 47  1  0\n 22 45  1  0\n 23 12  1  0\n 24 14  1  0\n 25  9  1  1\n 26 18  1  0\n 27 19  1  1\n 28 15  2  0\n 29 10  1  6\n 30 46  1  0\n 31 48  1  0\n 32 30  1  0\n 33  2  2  0\n 34  4  2  0\n 35  3  2  0\n 36 12  2  0\n 37 14  2  0\n 38 17  2  0\n 39 20  2  0\n 40 21  2  0\n 41 22  2  0\n 42 30  2  0\n 43 31  2  0\n 44 27  1  0\n 45 23  1  0\n 46 24  1  0\n 47 32  1  0\n 48 44  1  0\n 26 49  1  1\n 50 17  1  0\n 51 20  1  0\n 52 31  1  0\n 53  7  1  0\n 54 53  1  0\n 55 15  1  0\n 56 25  1  0\n 57 29  1  0\n 58 28  1  0\n 59 55  2  0\n 60 59  1  0\n 28  6  1  0\n 58 60  2  0\nM  END\n> <chembl_id>\nCHEMBL2104403\n\n> <chembl_pref_name>\nEMIDELTIDE", "standard_inchi": "InChI=1S/C35H48N10O15/c1-16(41-32(56)20(36)9-18-11-37-21-6-4-3-5-19(18)21)30(54)39-12-25(47)38-13-26(48)44-23(10-29(52)53)34(58)42-17(2)31(55)45-24(15-46)33(57)40-14-27(49)43-22(35(59)60)7-8-28(50)51/h3-6,11,16-17,20,22-24,37,46H,7-10,12-15,36H2,1-2H3,(H,38,47)(H,39,54)(H,40,57)(H,41,56)(H,42,58)(H,43,49)(H,44,48)(H,45,55)(H,50,51)(H,52,53)(H,59,60)/t16-,17-,20-,22-,23-,24-/m0/s1", "standard_inchi_key": "ZRZROXNBKJAOKB-GFVHOAGBSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Delta sleep inducing peptide", "syn_type": "OTHER", "synonyms": "DELTA SLEEP INDUCING PEPTIDE"}, {"molecule_synonym": "Delta sleep-inducing peptide", "syn_type": "OTHER", "synonyms": "DELTA SLEEP-INDUCING PEPTIDE"}, {"molecule_synonym": "Dsip", "syn_type": "MERCK_INDEX", "synonyms": "DSIP"}, {"molecule_synonym": "Emideltida", "syn_type": "INN_SPANISH", "synonyms": "EMIDELTIDA"}, {"molecule_synonym": "Emideltide", "syn_type": "INN", "synonyms": "EMIDELTIDE"}, {"molecule_synonym": "Trp-ala-gly-gly-asp-ala-ser-gly-glu", "syn_type": "OTHER", "synonyms": "TRP-ALA-GLY-GLY-ASP-ALA-SER-GLY-GLU"}], "molecule_type": "Protein", "natural_product": 0, "oral": false, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "EMIDELTIDE", "prodrug": 0, "structure_type": "BOTH", "therapeutic_flag": false, "topical": false, "usan_stem": "-tide", "usan_stem_definition": "peptides", "usan_substem": "-tide", "usan_year": null, "veterinary": 0, "withdrawn_flag": false}