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

Stem definitionDrug idCAS RN
estrogens 2341 1169-79-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • quinestradol
  • quinestradiol
  • Molecular weight: 356.51
  • Formula: C23H32O3
  • CLOGP: 5.26
  • LIPINSKI: 1
  • HAC: 3
  • HDO: 2
  • TPSA: 49.69
  • ALOGS: -5.04
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.386 Moderate 0.71
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.892 Moderate 0.71
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 11.535 10^-6 cm/s Moderate 0.71
dh-clint Dog hepatocyte intrinsic clearance 25.468 uL/min/10^6 cells Moderate 0.71
dppb Dog plasma protein binding (% unbound) 0.300 % Moderate 0.71
fcs-ppb Fetal calf serum protein binding (% unbound) 0.740 % Moderate 0.71
herg hERG pIC50 4.992 pIC50 Moderate 0.71
hh-clint Human hepatocyte intrinsic clearance 22.909 uL/min/10^6 cells Moderate 0.71
hlm-clint Human liver microsomal intrinsic clearance 19.861 uL/min/mg protein Moderate 0.71
hppb Human plasma protein binding (% unbound) 0.390 % Moderate 0.71
kinase-safety-class ACVR2B,BRAF,BTK,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK,TGFBR1,ZAP70 20
kinase-selectivity-class EIF2AK3 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.601 Moderate 0.71
mh-clint Mouse hepatocyte intrinsic clearance 66.222 Moderate 0.71
mppb Mouse plasma protein binding (% unbound) 0.360 Moderate 0.71
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.786 Moderate 0.71
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.640 % Moderate 0.71
rh-clint Rat hepatocyte intrinsic clearance 71.450 uL/min/10^6 cells Moderate 0.71
rh-fuinc Rat hepatocyte fraction unbound in incubation 2.770 % Moderate 0.71
rppb Rat plasma protein binding (% unbound) 0.370 % Moderate 0.71
solubility-dd Solubility at pH 7.4 in DMSO 9.506 uM Moderate 0.71

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:

None

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
C0072864 UMLSCUI
CHEBI:135506 CHEBI
CHEMBL2107004 ChEMBL_ID
C012021 MESH_SUPPLEMENTAL_RECORD_UI
14626804 PUBCHEM_CID
1778 INN_ID
422L8173W8 UNII
35215 RXNORM
325561002 SNOMEDCT_US
420164003 SNOMEDCT_US

Pharmaceutical products:

None