cetrorelix 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
gonadotropin-releasing-hormone (GnRH) inhibitors, peptides 583 120287-85-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cetrotide
  • cetrorelix acetate
  • cetrorelix
LHRH antagonist
  • Molecular weight: 1431.06
  • Formula: C70H92ClN17O14
  • CLOGP: -3.09
  • LIPINSKI: 3
  • HAC: 31
  • HDO: 17
  • TPSA: 495.67
  • ALOGS: -5.31
  • ROTB: 38

Drug dosage:

DoseUnitRoute
0.25 mg P

ADMET properties:

PropertyValueReference
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

Predicted pharmacokinetic/toxicological properties (PK-AZ):

None

Approvals:

DateAgencyCompanyOrphan
Aug. 11, 2000 FDA EMD SERONO INC
April 12, 1999 EMA MERCK EUROPE B.V.
April 20, 2006 PMDA NIPPON KAYAKU CO., LTD.

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients 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

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients 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

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
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

Related Drugs by ATC class:

H01CC Anti-gonadotropin-releasing hormones 6 drugs
elagolixestradiolganirelixlinzagolixnorethisteronerelugolix

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
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




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (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

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Gonadotropin-releasing hormone receptor GPCR ANTAGONIST Ki 8.80 CHEMBL CHEMBL
Lutropin-choriogonadotropic hormone receptor GPCR WOMBAT-PK

External reference:

IDSource
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

Pharmaceutical products:

None