estrone indications/contra

Stem definitionDrug idCAS RN
estrogens 3188 53-16-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • estrone
  • estron
  • estrugenone
  • oestrin
  • oestrone
An aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from ANDROSTENEDIONE directly, or from TESTOSTERONE via ESTRADIOL. In humans, it is produced primarily by the cyclic ovaries, PLACENTA, and the ADIPOSE TISSUE of men and postmenopausal women.
  • Molecular weight: 270.37
  • Formula: C18H22O2
  • CLOGP: 3.38
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -4.84
  • ROTB: 0

Drug dosage:

DoseUnitRoute
1 mg O

Approvals:

DateAgencyCompanyOrphan
Feb. 21, 1979 FDA WATSON LABS

FDA Adverse Event Reporting System

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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
Completed suicide 57.41 37.61 15 81 31099 3354664
Toxicity to various agents 42.44 37.61 13 83 47041 3338722

Pharmacologic Action:

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SourceCodeDescription
ATC G03CA07 GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
ESTROGENS
Natural and semisynthetic estrogens, plain
ATC G03CC04 GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
ESTROGENS
Estrogens, combinations with other drugs
CHEBI has role CHEBI:50646 bone density conservation agent
CHEBI has role CHEBI:35610 antineoplastic agent
MeSH PA D004967 Estrogens
MeSH PA D006728 Hormones
MeSH PA D006730 Hormones, Hormone Substitutes, and Hormone Antagonists

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Contraception indication 13197004
Acne vulgaris indication 88616000
Chemotherapy-induced nausea and vomiting indication 236084000
Prevention of Radiation-Induced Nausea and Vomiting indication
Prevention of Post-Operative Nausea and Vomiting indication
Heart valve disorder contraindication 368009 DOID:4079
Hyperlipoproteinemia contraindication 3744001 DOID:1168
Hypocalcemia contraindication 5291005
Hypercholesterolemia contraindication 13644009
Myocardial infarction contraindication 22298006 DOID:5844
Depressive disorder contraindication 35489007 DOID:2848
Chloasma contraindication 36209000
Migraine contraindication 37796009 DOID:6364
Hypertensive disorder contraindication 38341003 DOID:10763
Disorder of gallbladder contraindication 39621005 DOID:0060262
Hypothyroidism contraindication 40930008 DOID:1459
Body fluid retention contraindication 43498006
Thrombosis of retinal vein contraindication 46085004 DOID:1727
Humoral hypercalcemia of malignancy contraindication 47709007
Dementia contraindication 52448006
Hepatic porphyria contraindication 55056006 DOID:3133
Systemic lupus erythematosus contraindication 55464009 DOID:9074
Hyperlipidemia contraindication 55822004 DOID:1168
Benign mammary dysplasia contraindication 57993004
Obstructive hyperbilirubinemia contraindication 59848001 DOID:13603
Hepatic failure contraindication 59927004
Thrombophlebitis contraindication 64156001 DOID:3875
Intermenstrual bleeding - irregular contraindication 64996003
Diabetes mellitus contraindication 73211009 DOID:9351
Extrapyramidal disease contraindication 76349003
Hyperglycemia contraindication 80394007 DOID:4195
Epilepsy contraindication 84757009 DOID:1826
Breast lump contraindication 89164003
Malignant neoplasm of liver contraindication 93870000 DOID:3571
Uterine leiomyoma contraindication 95315005 DOID:13223
Deep venous thrombosis contraindication 128053003
Endometriosis contraindication 129103003 DOID:289
Liver function tests abnormal contraindication 166603001
Mammography abnormal contraindication 168750009
Angina pectoris contraindication 194828000
Asthma contraindication 195967001 DOID:2841
Cerebrovascular accident contraindication 230690007 DOID:6713
Pulmonary thromboembolism contraindication 233935004
Thrombophilia contraindication 234467004 DOID:2452
Disease of liver contraindication 235856003 DOID:409
Cholestasis of pregnancy contraindication 235888006
Endometrial carcinoma contraindication 254878006 DOID:2871
Chorea contraindication 271700006
Pregnancy, function contraindication 289908002
Hypertriglyceridemia contraindication 302870006
Functional visual loss contraindication 313165001
Malignant tumor of cervix contraindication 363354003 DOID:4362
Malignant tumor of ovary contraindication 363443007 DOID:2394
Thromboembolic disorder contraindication 371039008
Cardiovascular event risk contraindication 395112001
Disorder of coronary artery contraindication 414024009
Obesity contraindication 414916001 DOID:9970
Estrogen receptor positive tumor contraindication 416053008
Porphyria contraindication 418470004 DOID:13268
Family history of malignant neoplasm of breast contraindication 429740004
Hypertensive urgency contraindication 443482000
Carcinoma of female breast contraindication 447782002
Smokes tobacco daily contraindication 449868002
Major Surgery with Prolonged Post-Operative Immobilization contraindication
Nonspecific Abnormal Papanicolaou Smear of Cervix contraindication
Excessive vomiting in pregnancy off-label use 14094001
Amenorrhea off-label use 14302001 DOID:13938
Female hypogonadism syndrome off-label use 16041008
Polycystic ovaries off-label use 69878008 DOID:11612
Menopausal flushing off-label use 198436008
Dysmenorrhea off-label use 266599000
Abnormal uterine bleeding unrelated to menstrual cycle off-label use 312984006
Menorrhagia off-label use 386692008

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.13 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Estrogen receptor Nuclear hormone receptor AGONIST EC50 9.15 CHEMBL CHEMBL
5-hydroxytryptamine receptor 2B GPCR Ki 5.06 DRUG MATRIX
Sex hormone-binding globulin Secreted Kd 8.18 CHEMBL
Steryl-sulfatase Enzyme IC50 4.29 CHEMBL
Estrogen receptor beta Nuclear hormone receptor EC50 8.68 CHEMBL
Estradiol 17-beta-dehydrogenase 1 Enzyme Ki 8.52 CHEMBL
Sodium-dependent serotonin transporter Transporter Ki 5.55 DRUG MATRIX
Corticosteroid-binding globulin Secreted Ki 5 CHEMBL
Androgen receptor Transcription factor Ki 5.11 DRUG MATRIX
Arachidonate 15-lipoxygenase Enzyme IC50 5.18 DRUG MATRIX
Progesterone receptor Transcription factor Ki 5.68 DRUG MATRIX

External reference:

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IDSource
2818 IUPHAR_LIGAND_ID
4022631 VUID
N0000146811 NUI
C0014942 UMLSCUI
D00067 KEGG_DRUG
2DI9HA706A UNII
407 INN_ID
DB00655 DRUGBANK_ID
5870 PUBCHEM_CID
2450 MMSL
4103 RXNORM
51775003 SNOMEDCT_US
4688 MMSL
d00534 MMSL
4018489 VANDF
4022631 VANDF
N0000020636 NDFRT
N0000146811 NDFRT
N0000007281 NDFRT
001270 NDDF
90017009 SNOMEDCT_US
CHEMBL1405 ChEMBL_ID
CHEBI:17263 CHEBI
D004970 MESH_DESCRIPTOR_UI
J3Z PDB_CHEM_ID

Pharmaceutical products:

None