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

Stem definitionDrug idCAS RN
estrogens 2342 152-43-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • quinestrol
  • estrovis
  • estrovister
  • plestrovis
The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal absorption, it is stored in ADIPOSE TISSUE, slowly released, and metabolized principally to the parent compound. It has been used in ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992, p1011)
  • Molecular weight: 364.53
  • Formula: C25H32O2
  • CLOGP: 5.74
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 1
  • TPSA: 29.46
  • ALOGS: -5.37
  • ROTB: 2
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.742 Moderate 0.72
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.409 Moderate 0.72
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.119 10^-6 cm/s Moderate 0.72
dh-clint Dog hepatocyte intrinsic clearance 22.233 uL/min/10^6 cells Moderate 0.72
dppb Dog plasma protein binding (% unbound) 0.220 % Moderate 0.72
fcs-ppb Fetal calf serum protein binding (% unbound) 0.150 % Moderate 0.72
herg hERG pIC50 5.098 pIC50 Moderate 0.72
hh-clint Human hepatocyte intrinsic clearance 21.827 uL/min/10^6 cells Moderate 0.72
hlm-clint Human liver microsomal intrinsic clearance 19.364 uL/min/mg protein Moderate 0.72
hppb Human plasma protein binding (% unbound) 0.340 % Moderate 0.72
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,JAK3,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK,TGFBR1,ZAP70 23
kinase-selectivity-class EIF2AK3 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.100 Moderate 0.72
mh-clint Mouse hepatocyte intrinsic clearance 49.774 Moderate 0.72
mppb Mouse plasma protein binding (% unbound) 0.240 Moderate 0.72
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.179 Moderate 0.72
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.72
pppb Pig plasma protein binding (% unbound) 0.150 % Moderate 0.72
rh-clint Rat hepatocyte intrinsic clearance 39.264 uL/min/10^6 cells Moderate 0.72
rh-fuinc Rat hepatocyte fraction unbound in incubation 0.940 % Moderate 0.72
rppb Rat plasma protein binding (% unbound) 0.260 % Moderate 0.72
solubility-dd Solubility at pH 7.4 in DMSO 2.636 uM Moderate 0.72

Approvals:

DateAgencyCompanyOrphan
None FDA PARKE DAVIS

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D004967 Estrogens
MeSH PA D006728 Hormones
CHEBI has role CHEBI:76988 xenoestrogen

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

DiseaseRelationSNOMED_IDDOID
Female hypogonadism syndrome indication 16041008
Atrophic vaginitis indication 52441000
Primary ovarian failure indication 65846009
Menopausal flushing indication 198436008
Hyperlipoproteinemia contraindication 3744001 DOID:1168
Hypocalcemia contraindication 5291005
Hypercholesterolemia contraindication 13644009
Myocardial infarction contraindication 22298006 DOID:5844
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
Humoral hypercalcemia of malignancy contraindication 47709007
Dementia contraindication 52448006
Hepatic porphyria contraindication 55056006 DOID:3133
Systemic lupus erythematosus contraindication 55464009 DOID:9074
Thrombophlebitis contraindication 64156001 DOID:3875
Intermenstrual bleeding - irregular contraindication 64996003
Diabetes mellitus contraindication 73211009 DOID:9351
Epilepsy contraindication 84757009 DOID:1826
Breast lump contraindication 89164003
Uterine leiomyoma contraindication 95315005 DOID:13223
Deep venous thrombosis contraindication 128053003
Endometriosis contraindication 129103003
Mammography abnormal contraindication 168750009
Asthma contraindication 195967001 DOID:2841
Cerebrovascular accident contraindication 230690007
Pulmonary thromboembolism contraindication 233935004
Thrombophilia contraindication 234467004 DOID:2452
Disease of liver contraindication 235856003 DOID:409
Endometrial carcinoma contraindication 254878006 DOID:2871
Chorea contraindication 271700006
Pregnancy, function contraindication 289908002
Hypertriglyceridemia contraindication 302870006
Functional visual loss contraindication 313165001
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
Family history of malignant neoplasm of breast contraindication 429740004
Hypertensive urgency contraindication 443482000
Carcinoma of female breast contraindication 447782002
Smokes tobacco daily contraindication 449868002




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

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
Estrogen receptor Nuclear hormone receptor AGONIST DRUGBANK CHEMBL

External reference:

IDSource
4019081 VUID
N0000147342 NUI
D00576 KEGG_DRUG
4019081 VANDF
C0034410 UMLSCUI
CHEBI:8716 CHEBI
CHEMBL1201165 ChEMBL_ID
DB04575 DRUGBANK_ID
D011800 MESH_DESCRIPTOR_UI
9046 PUBCHEM_CID
7097 IUPHAR_LIGAND_ID
1612 INN_ID
JR0N7XD5GZ UNII
9066 RXNORM
d00545 MMSL
001288 NDDF
126100001 SNOMEDCT_US
412287005 SNOMEDCT_US

Pharmaceutical products:

None