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estetrol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| estrogens | 5450 | 15183-37-6 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Estetrol is a synthetic analogue of a native estrogen present during pregnancy, that is selective for nuclear estrogen receptors ERalpha and ERbeta. It is used in combination with drospirenone, a spironolactone analogue with anti-mineralocorticoid and antiandrogenic activity, (nextstellis) as oral contraceptive.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.884 | Moderate | 0.66 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.393 | Moderate | 0.66 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 26.182 | 10^-6 cm/s | Moderate | 0.66 |
| dh-clint | Dog hepatocyte intrinsic clearance | 6.637 | uL/min/10^6 cells | Moderate | 0.66 |
| dppb | Dog plasma protein binding (% unbound) | 19.780 | % | Moderate | 0.66 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 36.740 | % | Moderate | 0.66 |
| herg | hERG pIC50 | 4.541 | pIC50 | Moderate | 0.66 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.690 | uL/min/10^6 cells | Moderate | 0.66 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.214 | uL/min/mg protein | Moderate | 0.66 |
| hppb | Human plasma protein binding (% unbound) | 20.300 | % | Moderate | 0.66 |
| kinase-safety-class | ACVR2B,BRAF,BTK,CAMK2D,CDK5,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1,ZAP70 | 22 | |||
| kinase-selectivity-class | EIF2AK3,GRK2,MAP2K6 | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 5.383 | Moderate | 0.66 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 46.132 | Moderate | 0.66 | |
| mppb | Mouse plasma protein binding (% unbound) | 20.490 | Moderate | 0.66 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 11.858 | Moderate | 0.66 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 27.870 | % | Moderate | 0.66 |
| rh-clint | Rat hepatocyte intrinsic clearance | 35.563 | uL/min/10^6 cells | Moderate | 0.66 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 71.670 | % | Moderate | 0.66 |
| rppb | Rat plasma protein binding (% unbound) | 16.790 | % | Moderate | 0.66 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 564.937 | uM | Moderate | 0.66 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 15, 2021 | FDA | MAYNE PHARMA | |
| May 19, 2021 | EMA | Gedeon Richter Plc; Estetra SPRL |
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:
| Source | Code | Description |
|---|---|---|
| ATC | G03AA18 | 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 | G03CA10 | GENITO URINARY SYSTEM AND SEX HORMONES SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM ESTROGENS Natural and semisynthetic estrogens, plain |
| MeSH PA | D003270 | Contraceptive Agents |
| MeSH PA | D012102 | Reproductive Control Agents |
| FDA CS | M0447348 | Estradiol Congeners |
| FDA MoA | N0000000100 | Estrogen Receptor Agonists |
| FDA EPC | N0000175825 | Estrogen |
| CHEBI has role | CHEBI:49323 | contraceptive drug |
| CHEBI has role | CHEBI:49325 | oral contraceptive |
| CHEBI has role | CHEBI:50114 | estrogen |
| CHEBI has role | CHEBI:63951 | estrogen receptor agonist |
| CHEBI has role | CHEBI:76967 | human xenobiotic metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
Related Drugs by ATC class:
G03AA Progestogens and estrogens, fixed combinations 17 drugs
G03CA Natural and semisynthetic estrogens, plain 7 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Prevent pregnancy | indication | 5935008 | |
| Hepatocellular carcinoma | contraindication | 25370001 | |
| Acute hepatitis | contraindication | 37871000 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Atrial fibrillation | contraindication | 49436004 | DOID:0060224 |
| Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
| Cerebrovascular disease | contraindication | 62914000 | DOID:6713 |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Hepatocellular adenoma | contraindication | 78058005 | |
| Renal impairment | contraindication | 236423003 | |
| Carcinoma of breast | contraindication | 254838004 | DOID:3459 |
| Adrenal insufficiency | contraindication | 386584007 | DOID:10493 |
| Venous thromboembolic disease | contraindication | 429098002 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
None
Orange Book patent data (new drug applications)
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Patent number | Patent expiration date | Patent use |
|---|---|---|---|---|---|---|---|---|---|---|
| 3MG;14.2MG | NEXTSTELLIS | MAYNE PHARMA | N214154 | April 15, 2021 | RX | TABLET | ORAL | 7732430 | Jan. 15, 2028 | USE BY FEMALES OF REPRODUCTIVE POTENTIAL TO PREVENT PREGNANCY |
| 3MG;14.2MG | NEXTSTELLIS | MAYNE PHARMA | N214154 | April 15, 2021 | RX | TABLET | ORAL | 12427114 | June 17, 2036 | USE BY FEMALES OF REPRODUCTIVE POTENTIAL TO PREVENT PREGNANCY |
| 3MG;14.2MG | NEXTSTELLIS | MAYNE PHARMA | N214154 | April 15, 2021 | RX | TABLET | ORAL | 12233074 | Feb. 9, 2043 | USE BY FEMALES OF REPRODUCTIVE POTENTIAL TO PREVENT PREGNANCY |
| 3MG;14.2MG | NEXTSTELLIS | MAYNE PHARMA | N214154 | April 15, 2021 | RX | TABLET | ORAL | 12458649 | Oct. 1, 2043 | USE BY FEMALES OF REPRODUCTIVE POTENTIAL TO PREVENT PREGNANCY |
Orange Book exclusivity data (new drug applications)
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Exclusivity date | Description |
|---|---|---|---|---|---|---|---|---|---|
| 3MG;14.2MG | NEXTSTELLIS | MAYNE PHARMA | N214154 | April 15, 2021 | RX | TABLET | ORAL | April 15, 2026 | NEW CHEMICAL ENTITY |
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor | Nuclear hormone receptor | MODULATOR | Ki | 8.31 | SCIENTIFIC LITERATURE | DRUG LABEL | |||
| Estrogen receptor beta | Nuclear hormone receptor | MODULATOR | Ki | 7.72 | SCIENTIFIC LITERATURE | DRUG LABEL |
External reference:
| ID | Source |
|---|---|
| D11513 | KEGG_DRUG |
| 2055649-81-3 | SECONDARY_CAS_RN |
| C0014899 | UMLSCUI |
| CHEBI:142773 | CHEBI |
| 4OH | PDB_CHEM_ID |
| CHEMBL6068423 | ChEMBL_ID |
| 27125 | PUBCHEM_CID |
| DB12235 | DRUGBANK_ID |
| CHEMBL1230314 | ChEMBL_ID |
| D004953 | MESH_DESCRIPTOR_UI |
| C000718213 | MESH_SUPPLEMENTAL_RECORD_UI |
| 11591 | IUPHAR_LIGAND_ID |
| 1179488005 | SNOMEDCT_US |
| 1179489002 | SNOMEDCT_US |
| 1269193003 | SNOMEDCT_US |
| 4040424 | VANDF |
| 10439 | INN_ID |
| 39469 | MMSL |
| d09730 | MMSL |
| 018700 | NDDF |
| ENB39R14VF | UNII |
| 2539031 | RXNORM |
| ENB39R14VF | INXIGHT DRUGS |
Pharmaceutical products:
None