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

Stem definitionDrug idCAS RN
estrogens 3943 28913-23-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ethinyl estradiol sulfonate
  • 2-Propanesulfonic acid, 17-hydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-3-yl ester
  • turisteron
  • ethinylestradiol sulfonate
  • Molecular weight: 402.55
  • Formula: C23H30O4S
  • CLOGP: 4.30
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 63.60
  • ALOGS: -5.26
  • ROTB: 3

Drug dosage:

None

ADMET properties:

PropertyValueReference
S (Water solubility) 0.01 mg/mL Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 40 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.164 Moderate 0.70
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.908 Moderate 0.70
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 37.411 10^-6 cm/s Moderate 0.70
dh-clint Dog hepatocyte intrinsic clearance 18.578 uL/min/10^6 cells Moderate 0.70
dppb Dog plasma protein binding (% unbound) 0.530 % Moderate 0.70
fcs-ppb Fetal calf serum protein binding (% unbound) 0.880 % Moderate 0.70
herg hERG pIC50 5.142 pIC50 Moderate 0.70
hh-clint Human hepatocyte intrinsic clearance 14.388 uL/min/10^6 cells Moderate 0.70
hlm-clint Human liver microsomal intrinsic clearance 34.674 uL/min/mg protein Moderate 0.70
hppb Human plasma protein binding (% unbound) 0.570 % Moderate 0.70
kinase-safety-class ACVR2B,BRAF,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,PDK1,PDK2,PDK4,PRKDC 13
kinase-selectivity-class GRK2,MAP2K6,PDK1,PDK2 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.400 Moderate 0.70
mh-clint Mouse hepatocyte intrinsic clearance 56.364 Moderate 0.70
mppb Mouse plasma protein binding (% unbound) 1.050 Moderate 0.70
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.774 Moderate 0.70
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.70
pppb Pig plasma protein binding (% unbound) 0.640 % Moderate 0.70
rh-clint Rat hepatocyte intrinsic clearance 92.897 uL/min/10^6 cells Moderate 0.70
rh-fuinc Rat hepatocyte fraction unbound in incubation 7.410 % Moderate 0.70
rppb Rat plasma protein binding (% unbound) 0.790 % Moderate 0.70
solubility-dd Solubility at pH 7.4 in DMSO 3.698 uM Moderate 0.70

Approvals:

None

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
FDA MoA N0000000100 Estrogen Receptor Agonists
MeSH PA D000080066 Contraceptive Agents, Hormonal
MeSH PA D003271 Contraceptive Agents, Female
MeSH PA D003278 Contraceptives, Oral, Hormonal
MeSH PA D004967 Estrogens
MeSH PA D006728 Hormones
MeSH PA D012102 Reproductive Control Agents
FDA EPC N0000175825 Estrogen
CHEBI has role CHEBI:76988 xenoestrogens
CHEBI has role CHEBI:35610 antineoplastic agents
CHEBI has role CHEBI:50114 estrogens

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

None




🐶 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:

None

External reference:

IDSource
4018022 VANDF
CHEBI:135643 CHEBI
3WF PDB_CHEM_ID
C025723 MESH_SUPPLEMENTAL_RECORD_UI
DB00977 DRUGBANK_ID
4124 RXNORM
4698 MMSL
72166 MMSL
d00229 MMSL
001286 NDDF
126097006 SNOMEDCT_US
15432003 SNOMEDCT_US
C0059716 UMLSCUI
C0015011 UMLSCUI
68575 PUBCHEM_CID
5991 PUBCHEM_CID
437 INN_ID
D004997 MESH_DESCRIPTOR_UI
XF48685MYR UNII
CHEBI:4903 CHEBI

Pharmaceutical products:

None