{
  "id": 1559,
  "name": "leuprorelin",
  "cas_reg_no": "53714-56-0",
  "smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1",
  "inchikey": "GFIJNRVAKGFPGQ-LIJARHBVSA-N",
  "inchi": "InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1",
  "formula": "C59H84N16O12",
  "molweight": 1209.421,
  "xrefs": [
    {
      "xref_type": "VUID",
      "xref": "4019800"
    },
    {
      "xref_type": "NUI",
      "xref": "N0000147889"
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    {
      "xref_type": "KEGG_DRUG",
      "xref": "D00989"
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    {
      "xref_type": "SECONDARY_CAS_RN",
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    {
      "xref_type": "VANDF",
      "xref": "4018977"
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    {
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      "xref": "4019800"
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    {
      "xref_type": "UMLSCUI",
      "xref": "C1170247"
    },
    {
      "xref_type": "CHEBI",
      "xref": "CHEBI:6427"
    },
    {
      "xref_type": "ChEMBL_ID",
      "xref": "CHEMBL1200775"
    },
    {
      "xref_type": "ChEMBL_ID",
      "xref": "CHEMBL1201199"
    },
    {
      "xref_type": "MESH_DESCRIPTOR_UI",
      "xref": "D016729"
    },
    {
      "xref_type": "DRUGBANK_ID",
      "xref": "DB00007"
    },
    {
      "xref_type": "MESH_SUPPLEMENTAL_RECORD_UI",
      "xref": "C493311"
    },
    {
      "xref_type": "PUBCHEM_CID",
      "xref": "657180"
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    {
      "xref_type": "IUPHAR_LIGAND_ID",
      "xref": "1175"
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    {
      "xref_type": "INN_ID",
      "xref": "5025"
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    {
      "xref_type": "UNII",
      "xref": "EFY6W0M8TG"
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    {
      "xref_type": "RXNORM",
      "xref": "203217"
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    {
      "xref_type": "MMSL",
      "xref": "11929"
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    {
      "xref_type": "MMSL",
      "xref": "43716"
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    {
      "xref_type": "MMSL",
      "xref": "4966"
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    {
      "xref_type": "MMSL",
      "xref": "8763"
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    {
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      "xref": "70562007"
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  "synonyms": [
    "eligard",
    "leupline",
    "leuprolide",
    "leuprolide acetate",
    "leuprorelin",
    "leuprorelin acetate"
  ],
  "atcs": [
    {
      "atc_code": "G04BA03",
      "atc_l1_code": "G",
      "atc_l1_name": "GENITO URINARY SYSTEM AND SEX HORMONES",
      "atc_l2_code": "G04",
      "atc_l2_name": "UROLOGICALS",
      "atc_l3_code": "G04B",
      "atc_l3_name": "UROLOGICALS",
      "atc_l4_code": "G04BA",
      "atc_l4_name": "Acidifiers",
      "atc_substance": "calcium chloride"
    },
    {
      "atc_code": "R06AB51",
      "atc_l1_code": "R",
      "atc_l1_name": "RESPIRATORY SYSTEM",
      "atc_l2_code": "R06",
      "atc_l2_name": "ANTIHISTAMINES FOR SYSTEMIC USE",
      "atc_l3_code": "R06A",
      "atc_l3_name": "ANTIHISTAMINES FOR SYSTEMIC USE",
      "atc_l4_code": "R06AB",
      "atc_l4_name": "Substituted alkylamines",
      "atc_substance": "brompheniramine, combinations"
    }
  ],
  "products": [
    {
      "product_id": 2383500,
      "ndc_product_code": "0185-7400",
      "product_form": "INJECTION, SOLUTION",
      "product_generic_name": "Leuprolide Acetate",
      "product_name": "Leuprolide Acetate",
      "product_route": "SUBCUTANEOUS",
      "product_marketing_status": "ANDA",
      "product_active_ingredient_count": 1
    }
  ],
  "targets": [
    {
      "target_id": 342,
      "target_name": "Gonadotropin-releasing hormone receptor",
      "gene": "GNRHR",
      "action_type": "AGONIST",
      "act_source": "WOMBAT-PK",
      "act_type": "IC50",
      "act_comment": null,
      "relation": "=",
      "moa": 1.0,
      "moa_source": "CHEMBL",
      "moa_source_url": "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200775",
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 1962,
      "target_name": "Gonadotropin-releasing hormone receptor",
      "gene": "Gnrhr",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "IC50",
      "act_comment": "The compound was tested for the concentration to inhibit 50% of [125 I]leuprorelin binding to Leutinizing releasing hormone receptor in the membrane fractions of the rat pituitary",
      "relation": "=",
      "moa": NaN,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    }
  ],
  "indications": [
    {
      "omop_concept_id": 21000653,
      "omop_concept_name": "Precocious puberty",
      "umls_cui": "C0034013",
      "umls_semantic_type": "T033",
      "snomed_conceptid": 400179000.0,
      "snomed_full_name": "Precocious puberty"
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    {
      "omop_concept_id": 21000845,
      "omop_concept_name": "Anemia due to Bleeding Uterine Leiomyoma",
      "umls_cui": null,
      "umls_semantic_type": null,
      "snomed_conceptid": NaN,
      "snomed_full_name": null
    },
    {
      "omop_concept_id": 21000539,
      "omop_concept_name": "Advanced Prostatic Carcinoma",
      "umls_cui": null,
      "umls_semantic_type": null,
      "snomed_conceptid": NaN,
      "snomed_full_name": null
    },
    {
      "omop_concept_id": 21002475,
      "omop_concept_name": "Endometriosis",
      "umls_cui": "C0014175",
      "umls_semantic_type": "T047",
      "snomed_conceptid": 129103003.0,
      "snomed_full_name": "Endometriosis"
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}