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

Stem definitionDrug idCAS RN
estrogens 3366 34816-55-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • moxestrol
  • moxestrel
  • moxesterol
  • RU-16117
  • RU 16117
  • Molecular weight: 326.44
  • Formula: C21H26O3
  • CLOGP: 2.46
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 2
  • TPSA: 49.69
  • ALOGS: -4.55
  • ROTB: 1

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 33 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.287 Moderate 0.68
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.299 Moderate 0.68
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 65.013 10^-6 cm/s Moderate 0.68
dh-clint Dog hepatocyte intrinsic clearance 24.322 uL/min/10^6 cells Moderate 0.68
dppb Dog plasma protein binding (% unbound) 4.670 % Moderate 0.68
fcs-ppb Fetal calf serum protein binding (% unbound) 10.840 % Moderate 0.68
herg hERG pIC50 4.629 pIC50 Moderate 0.68
hh-clint Human hepatocyte intrinsic clearance 22.594 uL/min/10^6 cells Moderate 0.68
hlm-clint Human liver microsomal intrinsic clearance 20.512 uL/min/mg protein Moderate 0.68
hppb Human plasma protein binding (% unbound) 3.630 % Moderate 0.68
kinase-safety-class ACVR2B,BRAF,BTK,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PRKDC,TEK,TGFBR1 20
kinase-selectivity-class GRK2,MAP2K6 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.064 Moderate 0.68
mh-clint Mouse hepatocyte intrinsic clearance 100.231 Moderate 0.68
mppb Mouse plasma protein binding (% unbound) 4.910 Moderate 0.68
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 4.018 Moderate 0.68
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.68
pppb Pig plasma protein binding (% unbound) 8.680 % Moderate 0.68
rh-clint Rat hepatocyte intrinsic clearance 113.240 uL/min/10^6 cells Moderate 0.68
rh-fuinc Rat hepatocyte fraction unbound in incubation 38.140 % Moderate 0.68
rppb Rat plasma protein binding (% unbound) 5.380 % Moderate 0.68
solubility-dd Solubility at pH 7.4 in DMSO 28.708 uM Moderate 0.68

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
ATC G03CB04 GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
ESTROGENS
Synthetic estrogens, plain
MeSH PA D004965 Estrogen Antagonists
MeSH PA D006727 Hormone Antagonists

Related Drugs by ATC class:

G03CB Synthetic estrogens, plain 3 drugs
dienestroldiethylstilbestrolmethallenestril

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

Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.11 acidic

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 IC50 8.60 CHEMBL

External reference:

IDSource
C0066834 UMLSCUI
CHEBI:34857 CHEBI
CHEMBL1628161 ChEMBL_ID
DB13418 DRUGBANK_ID
C011310 MESH_SUPPLEMENTAL_RECORD_UI
11954041 PUBCHEM_CID
2913 INN_ID
6923NT44OW UNII
61665-15-4 SECONDARY_CAS_RN

Pharmaceutical products:

None