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

Stem definitionDrug idCAS RN
estrogens 4857 7280-37-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • estrone sulphate
  • estrone sodium sulfate
  • estropipate
  • piperazine estrone sulfate
  • sodium estrone sulfate
used therapeutically in menopausal patients
  • Molecular weight: 350.43
  • Formula: C18H22O5S
  • CLOGP: 1.82
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 80.67
  • ALOGS: -4.77
  • ROTB: 2
  • Status: OFP
    • 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 0.210 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.192 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 27.164 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 4.169 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 2.180 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 2.110 % High 1
herg hERG pIC50 4.827 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 13.900 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 14.223 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 1.660 % High 1
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,IKBKB,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CG,PIM2,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 35
kinase-selectivity-class AXL,ERBB2,GRK2,MAP2K6,STK33,SYK,TEK,ZAP70 8
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.825 High 1
mh-clint Mouse hepatocyte intrinsic clearance 23.988 High 1
mppb Mouse plasma protein binding (% unbound) 2.240 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.844 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 1.160 % High 1
rh-clint Rat hepatocyte intrinsic clearance 30.903 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 67.980 % High 1
rppb Rat plasma protein binding (% unbound) 2.080 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 920.450 uM High 1

Approvals:

DateAgencyCompanyOrphan
May 19, 1977 FDA PHARMACIA AND UPJOHN

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 D000080066 Contraceptive Agents, Hormonal
MeSH PA D003270 Contraceptive Agents
MeSH PA D012102 Reproductive Control Agents
MeSH PA D004967 Estrogens
MeSH PA D006728 Hormones
CHEBI has role CHEBI:50646 bone density conservation agent
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:50114 estrogen
CHEBI has role CHEBI:74518 anti-obesity agent
CHEBI has role CHEBI:75771 mouse metabolite
CHEBI has role CHEBI:77746 human metabolite

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

DiseaseRelationSNOMED_IDDOID
Female hypogonadism syndrome indication 16041008
Atrophic vaginitis indication 52441000




🐶 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 DRUG LABEL DRUG LABEL
Estrogen receptor beta Nuclear hormone receptor AGONIST DRUG LABEL DRUG LABEL
Steryl-sulfatase Enzyme Ki 4.22 CHEMBL
Solute carrier family 22 member 20 Transporter Ki 4.24 CHEMBL

External reference:

IDSource
D00948 KEGG_DRUG
4018490 VUID
N0000146812 NUI
438-67-5 SECONDARY_CAS_RN
4018489 VANDF
4018490 VANDF
4018711 VANDF
4022631 VANDF
C0059668 UMLSCUI
CHEBI:17474 CHEBI
J3Z PDB_CHEM_ID
CHEMBL494753 ChEMBL_ID
3001028 PUBCHEM_CID
DB04574 DRUGBANK_ID
CHEMBL2106240 ChEMBL_ID
CHEMBL1200980 ChEMBL_ID
DB00655 DRUGBANK_ID
33747 RXNORM
17244 MMSL
2450 MMSL
2464 MMSL
4688 MMSL
4689 MMSL
d00534 MMSL
d00543 MMSL
001270 NDDF
001287 NDDF
115502007 SNOMEDCT_US
127381003 SNOMEDCT_US
395829001 SNOMEDCT_US
51775003 SNOMEDCT_US
784234005 SNOMEDCT_US
90017009 SNOMEDCT_US
C0236379 UMLSCUI
5870 PUBCHEM_CID
6K6FDA543A UNII
407 INN_ID
C009927 MESH_SUPPLEMENTAL_RECORD_UI
D004970 MESH_DESCRIPTOR_UI
CHEBI:17263 CHEBI
6K6FDA543A INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Esterified Estrogens and Methyltestosterone HUMAN PRESCRIPTION DRUG LABEL 2 50220-001 TABLET, FILM COATED 0.63 mg ORAL Unapproved drug other 13 sections
Esterified Estrogens and Methyltestosterone HUMAN PRESCRIPTION DRUG LABEL 2 50220-002 TABLET, FILM COATED 1.25 mg ORAL Unapproved drug other 13 sections
Estropipate HUMAN PRESCRIPTION DRUG LABEL 1 54868-3114 TABLET 0.75 mg ORAL ANDA 23 sections
Estropipate HUMAN PRESCRIPTION DRUG LABEL 1 54868-4149 TABLET 1.50 mg ORAL ANDA 23 sections
Estropipate HUMAN PRESCRIPTION DRUG LABEL 1 54868-4761 TABLET 3 mg ORAL ANDA 23 sections