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estradiol benzoate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| estrogens | 1058 | 50-50-0 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
The 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. Estradiol-17-beta is the most potent form of mammalian estrogenic steroids
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 5 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.941 | Moderate | 0.71 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.216 | Moderate | 0.71 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.487 | 10^-6 cm/s | Moderate | 0.71 |
| dh-clint | Dog hepatocyte intrinsic clearance | 103.039 | uL/min/10^6 cells | Moderate | 0.71 |
| dppb | Dog plasma protein binding (% unbound) | 0.100 | % | Moderate | 0.71 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.150 | % | Moderate | 0.71 |
| herg | hERG pIC50 | 4.708 | pIC50 | Moderate | 0.71 |
| hh-clint | Human hepatocyte intrinsic clearance | 203.704 | uL/min/10^6 cells | Moderate | 0.71 |
| hlm-clint | Human liver microsomal intrinsic clearance | 95.940 | uL/min/mg protein | Moderate | 0.71 |
| hppb | Human plasma protein binding (% unbound) | 0.300 | % | Moderate | 0.71 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.550 | Moderate | 0.71 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 203.704 | Moderate | 0.71 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.240 | Moderate | 0.71 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.690 | Moderate | 0.71 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.470 | % | Moderate | 0.71 |
| rh-clint | Rat hepatocyte intrinsic clearance | 252.348 | uL/min/10^6 cells | Moderate | 0.71 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 1.730 | % | Moderate | 0.71 |
| rppb | Rat plasma protein binding (% unbound) | 0.200 | % | Moderate | 0.71 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.607 | uM | Moderate | 0.71 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
FDA Adverse Event Reporting System (Female)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Schizoaffective disorder | 311.54 | 67.51 | 50 | 613 | 5097 | 90622687 |
| Drug level increased | 227.43 | 67.51 | 50 | 613 | 27712 | 90600072 |
| Electrocardiogram QT prolonged | 179.77 | 67.51 | 50 | 613 | 72406 | 90555378 |
| Drug interaction | 144.57 | 67.51 | 59 | 604 | 276394 | 90351390 |
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 CS | M0447348 | Estradiol Congeners |
| FDA MoA | N0000000100 | Estrogen Receptor Agonists |
| MeSH PA | D004967 | Estrogens |
| MeSH PA | D006728 | Hormones |
| FDA EPC | N0000175825 | Estrogen |
| CHEBI has role | CHEBI:50114 | estrogen |
| CHEBI has role | CHEBI:77746 | human metabolite |
Drug Use | Suggest Off label Use Form| |View source of the data|
None
🐶 Veterinary Drug Use
| Species | Use | Relation |
|---|---|---|
| Cattle | To increase rate of weight gain | Indication |
| Cattle | To improve feed efficiency | Indication |
| Cattle | Synchronization of estrus/ovulation | Indication |
🐶 Veterinary products
| Product | Applicant | Ingredients |
|---|---|---|
| Synovex C, Synovex S | Zoetis Inc. | 2 |
| Synovex H | Zoetis Inc. | 2 |
| Component E-C with Tylan, Component E-S with Tylan | Elanco US Inc. | 3 |
| SYNOVEX Choice, SYNOVEX PLUS | Zoetis Inc. | 2 |
| SYNOVEX ONE FEEDLOT, SYNOVEX ONE Grower | Zoetis Inc. | 2 |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Transporter | Ki | 5.71 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 4.77 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 5.13 | DRUG MATRIX | |||||
| Glucocorticoid receptor | Nuclear hormone receptor | Ki | 5.64 | DRUG MATRIX | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 5.45 | DRUG MATRIX | |||||
| Adenosine receptor A3 | GPCR | Ki | 4.91 | DRUG MATRIX | |||||
| Estrogen receptor | Nuclear hormone receptor | Ki | 7.75 | DRUG MATRIX | |||||
| Sex hormone-binding globulin | Secreted | Kd | 5.94 | CHEMBL | |||||
| Tyrosine-protein kinase Fyn | Kinase | IC50 | 4.64 | DRUG MATRIX | |||||
| Androgen receptor | Transcription factor | Ki | 8.16 | DRUG MATRIX | |||||
| Progesterone receptor | Transcription factor | Ki | 5.90 | DRUG MATRIX |
External reference:
| ID | Source |
|---|---|
| D01953 | KEGG_DRUG |
| 4017609 | VANDF |
| 4021205 | VANDF |
| C0167626 | UMLSCUI |
| CHEBI:77006 | CHEBI |
| EST | PDB_CHEM_ID |
| CHEMBL282575 | ChEMBL_ID |
| DB13953 | DRUGBANK_ID |
| 222757 | PUBCHEM_CID |
| 405 | INN_ID |
| 1S4CJB5ZGN | UNII |
| DB00783 | DRUGBANK_ID |
| 4083 | RXNORM |
| 12022 | MMSL |
| 4684 | MMSL |
| 6157 | MMSL |
| 73109 | MMSL |
| 73244 | MMSL |
| 8602 | MMSL |
| NOCODE | MMSL |
| d00537 | MMSL |
| 001265 | NDDF |
| 003687 | NDDF |
| 126172005 | SNOMEDCT_US |
| 12839006 | SNOMEDCT_US |
| 96349008 | SNOMEDCT_US |
| C0014912 | UMLSCUI |
| 5757 | PUBCHEM_CID |
| 406 | INN_ID |
| D004958 | MESH_DESCRIPTOR_UI |
| CHEBI:16469 | CHEBI |
| 1S4CJB5ZGN | INXIGHT DRUGS |
Pharmaceutical products:
None