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estramustine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives | 1065 | 2998-57-4 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.00 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 60 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.354 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.991 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 22.284 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 130.017 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 0.330 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.680 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.941 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 161.436 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 200.909 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 0.380 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2B,BRAF,CDK5,EIF2AK3,GRK2,ITK,MAPK10,NTRK2,PDK1,PDK2,PDK4,PRKDC | 12 | |||
| kinase-selectivity-class | EIF2AK3,PDK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.746 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 186.638 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.550 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.344 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 1.650 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 286.418 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 6.140 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 0.590 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.714 | uM | Moderate | 0.65 |
Approvals:
None
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
| 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 |
|---|---|---|---|---|---|---|
| Osteonecrosis of jaw | 41.77 | 40.79 | 10 | 122 | 19039 | 42602164 |
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | L01XX11 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS OTHER ANTINEOPLASTIC AGENTS Other antineoplastic agents |
| FDA CS | M0007772 | Estradiol |
| FDA CS | M0014901 | Nitrogen Mustard Compounds |
| FDA MoA | N0000000236 | Alkylating Activity |
| FDA EPC | N0000175558 | Alkylating Drug |
| MeSH PA | D000477 | Alkylating Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D018906 | Antineoplastic Agents, Alkylating |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| CHEBI has role | CHEBI:22333 | alkylating agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:66987 | radiation protective agent |
Related Drugs by ATC class:
L01XX Other antineoplastic agents 33 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Neoplasm of prostate | indication | 126906006 | DOID:10283 |
| Gynecomastia | contraindication | 4754008 | DOID:12698 |
| Hypocalcemia | contraindication | 5291005 | |
| Hyperbilirubinemia | contraindication | 14783006 | DOID:2741 |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Migraine | contraindication | 37796009 | DOID:6364 |
| Immunosuppression | contraindication | 38013005 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Body fluid retention | contraindication | 43498006 | |
| Chronic heart failure | contraindication | 48447003 | |
| Cerebrovascular disease | contraindication | 62914000 | DOID:6713 |
| Thrombophlebitis | contraindication | 64156001 | DOID:3875 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Liver function tests abnormal | contraindication | 166603001 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Edema | contraindication | 267038008 | |
| Pregnancy, function | contraindication | 289908002 | |
| Bone marrow depression | contraindication | 307762000 | |
| Thromboembolic disorder | contraindication | 371039008 | |
| Impotence | contraindication | 397803000 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Hypercalcemia associated with Metabolic Bone Disease | 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:
None
External reference:
| ID | Source |
|---|---|
| 4022118 | VUID |
| N0000020124 | NUI |
| D04066 | KEGG_DRUG |
| 4022118 | VANDF |
| C0014921 | UMLSCUI |
| CHEBI:4868 | CHEBI |
| CHEMBL1575 | ChEMBL_ID |
| D004961 | MESH_DESCRIPTOR_UI |
| DB01196 | DRUGBANK_ID |
| 9076 | IUPHAR_LIGAND_ID |
| 2877 | INN_ID |
| 35LT29625A | UNII |
| 259331 | PUBCHEM_CID |
| 4089 | RXNORM |
| d01351 | MMSL |
| 004824 | NDDF |
| 108768000 | SNOMEDCT_US |
| 386909008 | SNOMEDCT_US |
| 35LT29625A | INXIGHT DRUGS |
Pharmaceutical products:
None