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| Stem definition | Drug id | CAS RN |
|---|---|---|
| gonadotropin-releasing-hormone (GnRH) inhibitors, peptides | 583 | 120287-85-6 |
| Dose | Unit | Route |
|---|---|---|
| 0.25 | mg | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 8 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 3 % | Benet LZ, Broccatelli F, Oprea TI |
| Vd (Volume of distribution) | 0.39 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.20 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.14 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 12 hours | Lombardo F, Berellini G, Obach RS |
None
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 11, 2000 | FDA | EMD SERONO INC | |
| April 12, 1999 | EMA | MERCK EUROPE B.V. | |
| April 20, 2006 | PMDA | NIPPON KAYAKU CO., LTD. |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Ovarian hyperstimulation syndrome | 888.69 | 58.78 | 131 | 779 | 5731 | 90621806 |
| Premature ovulation | 235.89 | 58.78 | 23 | 887 | 7 | 90627530 |
| Blood luteinising hormone increased | 134.64 | 58.78 | 16 | 894 | 115 | 90627422 |
| Ascites | 99.25 | 58.78 | 31 | 879 | 47709 | 90579828 |
| Abortion spontaneous | 83.37 | 58.78 | 28 | 882 | 54028 | 90573509 |
| Blood oestrogen increased | 74.01 | 58.78 | 10 | 900 | 215 | 90627322 |
| Drug level decreased | 70.96 | 58.78 | 17 | 893 | 9713 | 90617824 |
| Ovarian disorder | 60.08 | 58.78 | 10 | 900 | 897 | 90626640 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Ovarian hyperstimulation syndrome | 886.70 | 56.62 | 122 | 586 | 5238 | 110583353 |
| Premature ovulation | 136.99 | 56.62 | 13 | 695 | 7 | 110588584 |
| Blood luteinising hormone increased | 96.44 | 56.62 | 12 | 696 | 213 | 110588378 |
| Ascites | 88.87 | 56.62 | 30 | 678 | 92778 | 110495813 |
| Blood oestrogen increased | 79.22 | 56.62 | 10 | 698 | 200 | 110588391 |
| Drug level decreased | 67.71 | 56.62 | 17 | 691 | 18531 | 110570060 |
| Pelvic fluid collection | 63.29 | 56.62 | 10 | 698 | 1023 | 110587568 |
None
| Source | Code | Description |
|---|---|---|
| ATC | H01CC02 | SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES HYPOTHALAMIC HORMONES Anti-gonadotropin-releasing hormones |
| FDA PE | N0000008638 | Decreased GnRH Secretion |
| FDA MoA | N0000175084 | Gonadotropin Releasing Hormone Receptor Antagonists |
| MeSH PA | D005300 | Fertility Agents, Female |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D012102 | Reproductive Control Agents |
| FDA EPC | N0000175839 | Gonadotropin Releasing Hormone Receptor Antagonist |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:59229 | GnRH antagonist |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Prevention of premature ovulation during controlled ovarian stimulation | indication | 732970000 | |
| Premature Luteinizing Hormone Surges | indication | ||
| Prevention of premature ovulation | indication | ||
| Acute nephropathy | contraindication | 58574008 | |
| Pregnancy, function | contraindication | 289908002 | |
| Breastfeeding (mother) | contraindication | 413712001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.65 | acidic |
| pKa2 | 12.09 | acidic |
| pKa3 | 12.45 | acidic |
| pKa4 | 13.01 | acidic |
| pKa5 | 13.29 | acidic |
| pKa6 | 13.37 | acidic |
| pKa7 | 13.67 | acidic |
| pKa8 | 13.71 | acidic |
| pKa9 | 10.75 | Basic |
| pKa10 | 5.35 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | GPCR | ANTAGONIST | Ki | 8.80 | CHEMBL | CHEMBL | |||
| Lutropin-choriogonadotropic hormone receptor | GPCR | WOMBAT-PK |
| ID | Source |
|---|---|
| D01685 | KEGG_DRUG |
| 130143-01-0 | SECONDARY_CAS_RN |
| 259338 | RXNORM |
| C0209366 | UMLSCUI |
| CHEBI:59224 | CHEBI |
| CHEMBL1200490 | ChEMBL_ID |
| CHEMBL2103735 | ChEMBL_ID |
| DB00050 | DRUGBANK_ID |
| C062876 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1190 | IUPHAR_LIGAND_ID |
| 6661 | INN_ID |
| OON1HFZ4BA | UNII |
| 25074887 | PUBCHEM_CID |
| 15671 | MMSL |
| 362200 | MMSL |
| 37942 | MMSL |
| d04706 | MMSL |
| 007799 | NDDF |
| 007800 | NDDF |
| 326083001 | SNOMEDCT_US |
| 395906005 | SNOMEDCT_US |
| 412114000 | SNOMEDCT_US |
| 4021277 | VANDF |
| 4024232 | VANDF |
| OON1HFZ4BA | INXIGHT DRUGS |
None