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mestranol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| estrogens | 1714 | 72-33-3 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
The 3-methyl ether of ETHINYL ESTRADIOL. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL CONTRACEPTIVES.
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 | 4.417 | Moderate | 0.78 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.074 | Moderate | 0.78 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 13.804 | 10^-6 cm/s | Moderate | 0.78 |
| dh-clint | Dog hepatocyte intrinsic clearance | 38.282 | uL/min/10^6 cells | Moderate | 0.78 |
| dppb | Dog plasma protein binding (% unbound) | 0.410 | % | Moderate | 0.78 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.500 | % | Moderate | 0.78 |
| herg | hERG pIC50 | 5.043 | pIC50 | Moderate | 0.78 |
| hh-clint | Human hepatocyte intrinsic clearance | 34.041 | uL/min/10^6 cells | Moderate | 0.78 |
| hlm-clint | Human liver microsomal intrinsic clearance | 26.546 | uL/min/mg protein | Moderate | 0.78 |
| hppb | Human plasma protein binding (% unbound) | 0.500 | % | Moderate | 0.78 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,JAK3,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PRKDC,TEK,TGFBR1,ZAP70 | 25 | |||
| kinase-selectivity-class | EIF2AK3,GRK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.203 | Moderate | 0.78 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 94.406 | Moderate | 0.78 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.600 | Moderate | 0.78 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.470 | Moderate | 0.78 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.78 | |
| pppb | Pig plasma protein binding (% unbound) | 0.460 | % | Moderate | 0.78 |
| rh-clint | Rat hepatocyte intrinsic clearance | 69.663 | uL/min/10^6 cells | Moderate | 0.78 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 4.840 | % | Moderate | 0.78 |
| rppb | Rat plasma protein binding (% unbound) | 0.500 | % | Moderate | 0.78 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 0.925 | uM | Moderate | 0.78 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 9, 1961 | FDA |
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 |
|---|---|---|
| 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 |
| CHEBI has role | CHEBI:50266 | prodrug |
| CHEBI has role | CHEBI:76988 | xenoestrogen |
| FDA EPC | N0000175825 | Estrogen |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Contraception | indication | 13197004 | |
| Female hypogonadism syndrome | indication | 16041008 | |
| Endometriosis | indication | 129103003 | |
| Menorrhagia | indication | 386692008 | |
| Heart valve disorder | contraindication | 368009 | DOID:4079 |
| Hypercholesterolemia | contraindication | 13644009 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Depressive disorder | contraindication | 35489007 | |
| Migraine | contraindication | 37796009 | DOID:6364 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Disorder of gallbladder | contraindication | 39621005 | DOID:0060262 |
| Body fluid retention | contraindication | 43498006 | |
| Thrombosis of retinal vein | contraindication | 46085004 | |
| Hyperlipidemia | contraindication | 55822004 | DOID:1168 |
| Benign mammary dysplasia | contraindication | 57993004 | |
| Obstructive hyperbilirubinemia | contraindication | 59848001 | |
| Thrombophlebitis | contraindication | 64156001 | DOID:3875 |
| Intermenstrual bleeding - irregular | contraindication | 64996003 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Hyperglycemia | contraindication | 80394007 | DOID:4195 |
| Malignant neoplasm of liver | contraindication | 93870000 | DOID:3571 |
| Deep venous thrombosis | contraindication | 128053003 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Angina pectoris | contraindication | 194828000 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Pulmonary thromboembolism | contraindication | 233935004 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Cholestasis of pregnancy | contraindication | 235888006 | |
| Endometrial carcinoma | contraindication | 254878006 | DOID:2871 |
| Pregnancy, function | contraindication | 289908002 | |
| Hypertriglyceridemia | contraindication | 302870006 | |
| Malignant tumor of cervix | contraindication | 363354003 | DOID:4362 |
| Thromboembolic disorder | contraindication | 371039008 | |
| Cardiovascular event risk | contraindication | 395112001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Obesity | contraindication | 414916001 | DOID:9970 |
| Estrogen receptor positive tumor | contraindication | 416053008 | |
| Porphyria | contraindication | 418470004 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Carcinoma of female breast | contraindication | 447782002 | |
| Smokes tobacco daily | contraindication | 449868002 | |
| Nonspecific Abnormal Papanicolaou Smear of Cervix | contraindication | ||
| Major Surgery with Prolonged Post-Operative Immobilization | contraindication |
🐶 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:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor | Nuclear hormone receptor | AGONIST | Ki | 8.28 | DRUG MATRIX | CHEMBL | |||
| Cannabinoid receptor 1 | GPCR | Ki | 4.65 | DRUG MATRIX | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 7.66 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.86 | DRUG MATRIX | |||||
| Androgen receptor | Transcription factor | Ki | 5.15 | DRUG MATRIX | |||||
| Progesterone receptor | Transcription factor | Ki | 4.96 | DRUG MATRIX |
External reference:
| ID | Source |
|---|---|
| 4018119 | VUID |
| N0000146457 | NUI |
| D00575 | KEGG_DRUG |
| 4018119 | VANDF |
| C0025506 | UMLSCUI |
| CHEBI:6784 | CHEBI |
| CHEMBL1201151 | ChEMBL_ID |
| DB01357 | DRUGBANK_ID |
| D008656 | MESH_DESCRIPTOR_UI |
| 6291 | PUBCHEM_CID |
| 7087 | IUPHAR_LIGAND_ID |
| 1139 | INN_ID |
| B2V233XGE7 | UNII |
| 6782 | RXNORM |
| 5059 | MMSL |
| d03038 | MMSL |
| 001273 | NDDF |
| 395785001 | SNOMEDCT_US |
| 77885004 | SNOMEDCT_US |
| B2V233XGE7 | INXIGHT DRUGS |
Pharmaceutical products:
None