cetrorelix Indications/Contra | FAERs-F | FAERs-M | Orange Bk | 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: -0.40
  • 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

Approvals:

DateAgencyCompanyOrphan
Aug. 11, 2000 FDA EMD SERONO INC

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 545.34 65.86 68 163 650 2357204
Premature ovulation 153.68 65.86 15 216 0 2357854
Blood luteinising hormone increased 130.15 65.86 15 216 57 2357797
Ascites 92.44 65.86 20 211 5600 2352254
Ovarian disorder 70.61 65.86 10 221 229 2357625

FDA Adverse Event Reporting System (Male)

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

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 EPC N0000175839 Gonadotropin Releasing Hormone Antagonist
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
CHEBI has role CHEBI:59229 GnRH antagonist
CHEBI has role CHEBI:35610 antineoplastic agent

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Premature Luteinizing Hormone Surges indication
Acute nephropathy contraindication 58574008
Pregnancy, function contraindication 289908002
Breastfeeding (mother) contraindication 413712001

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
C0939290 UMLSCUI
D01685 KEGG_DRUG
326083001 SNOMEDCT_US
4024232 VANDF
d04706 MMSL
68147 RXNORM
395906005 SNOMEDCT_US
007799 NDDF
DB00050 DRUGBANK_ID
CHEMBL1200490 ChEMBL_ID
OON1HFZ4BA UNII
6661 INN_ID
CHEBI:59224 CHEBI
130143-01-0 SECONDARY_CAS_RN
1190 IUPHAR_LIGAND_ID
CHEMBL2103735 ChEMBL_ID
25074887 PUBCHEM_CID
C062876 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Cetrotide HUMAN PRESCRIPTION DRUG LABEL 1 44087-1225 KIT 0.25 mg SUBCUTANEOUS NDA 13 sections