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

Stem definitionDrug idCAS RN
steroids, progestogens 1291 60282-87-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • gestodene
  • gestinol
synthetic steroid with progestational activity; RN given refers to (17alpha)-isomer
  • Molecular weight: 310.44
  • Formula: C21H26O2
  • CLOGP: 3.04
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -4.73
  • ROTB: 1

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 0.00 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 93 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 0.46 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.80 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.02 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 10 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.908 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.502 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 61.944 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 23.659 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 6.740 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 9.920 % Moderate 0.69
herg hERG pIC50 4.754 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 3.365 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 22.233 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 5.340 % Moderate 0.69
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,STK33,TEK,TGFBR1,ZAP70 24
kinase-selectivity-class GRK2 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.279 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 107.399 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 5.940 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 3.837 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 9.740 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 65.766 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 39.510 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 5.280 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 57.412 uM Moderate 0.69

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Drug level decreased 88.38 70.03 17 314 9713 90618403
Blood oestrogen increased 84.22 70.03 10 321 215 90627901
Generalised tonic-clonic seizure 71.72 70.03 18 313 34885 90593231

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Blood oestrogen increased 87.02 67.31 10 317 200 110588772
Drug level decreased 81.02 67.31 17 310 18531 110570441
Generalised tonic-clonic seizure 67.48 67.31 18 309 54662 110534310

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC G03AA10 GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Progestogens and estrogens, fixed combinations
ATC G03AB06 GENITO URINARY SYSTEM AND SEX HORMONES
SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
Progestogens and estrogens, sequential preparations
MeSH PA D000080066 Contraceptive Agents, Hormonal
MeSH PA D003270 Contraceptive Agents
MeSH PA D003271 Contraceptive Agents, Female
MeSH PA D003278 Contraceptives, Oral, Hormonal
MeSH PA D003280 Contraceptives, Oral, Synthetic
MeSH PA D006728 Hormones
MeSH PA D011372 Progestins
MeSH PA D012102 Reproductive Control Agents
CHEBI has role CHEBI:50114 estrogen

Related Drugs by ATC class:

G03AA Progestogens and estrogens, fixed combinations 17 drugs
chlormadinonedesogestreldienogestdrospirenoneestetrolestradiolethinylestradioletynodiollevonorgestrellynestrenolmedroxyprogesteronemegestrol acetate show all 17 →
G03AB Progestogens and estrogens, sequential preparations 10 drugs
chlormadinonedesogestreldienogestestradiolethinylestradiollevonorgestrellynestrenolmegestrol acetatenorethisteronenorgestimate

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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Progesterone receptor Nuclear hormone receptor WOMBAT-PK
Cytochrome P450 3A5 Enzyme WOMBAT-PK

External reference:

IDSource
D04316 KEGG_DRUG
C0061246 UMLSCUI
CHEBI:135323 CHEBI
CHEMBL1213583 ChEMBL_ID
DB06730 DRUGBANK_ID
C033273 MESH_SUPPLEMENTAL_RECORD_UI
3033968 PUBCHEM_CID
11246 IUPHAR_LIGAND_ID
4244 INN_ID
1664P6E6MI UNII
25734 RXNORM
003971 NDDF
395945000 SNOMEDCT_US
437760006 SNOMEDCT_US
1664P6E6MI INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
MYVLAR HUMAN OTC DRUG LABEL 2 72689-0012 TABLET 0.08 mg ORAL unapproved drug other 7 sections