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ximelagatran 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| thrombin inhibitors, antithrombotic agents | 2852 | 192939-46-1 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 6 | mg | P |
| 48 | mg | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 2.17 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 21 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.197 | High | 0.86 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 15.031 | High | 0.86 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.494 | 10^-6 cm/s | High | 0.86 |
| dh-clint | Dog hepatocyte intrinsic clearance | 4.808 | uL/min/10^6 cells | High | 0.86 |
| dppb | Dog plasma protein binding (% unbound) | 57.320 | % | High | 0.86 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 62.290 | % | High | 0.86 |
| herg | hERG pIC50 | 4.161 | pIC50 | High | 0.86 |
| hh-clint | Human hepatocyte intrinsic clearance | 7.852 | uL/min/10^6 cells | High | 0.86 |
| hlm-clint | Human liver microsomal intrinsic clearance | 40.365 | uL/min/mg protein | High | 0.86 |
| hppb | Human plasma protein binding (% unbound) | 59.270 | % | High | 0.86 |
| kinase-safety-class | CDK5,EIF2AK3,GRK2,PDK1,PDK2,PDK4 | 6 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.199 | Moderate | 0.69 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.606 | High | 0.86 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 77.983 | High | 0.86 | |
| mppb | Mouse plasma protein binding (% unbound) | 68.330 | High | 0.86 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.295 | High | 0.86 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 77.460 | % | High | 0.86 |
| rat-kpuu-brain | Rat brain Kpuu | 0.009 | % | Moderate | 0.69 |
| rh-clint | Rat hepatocyte intrinsic clearance | 38.637 | uL/min/10^6 cells | High | 0.86 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 81.190 | % | High | 0.86 |
| rppb | Rat plasma protein binding (% unbound) | 62.890 | % | High | 0.86 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 883.080 | uM | High | 0.86 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 2004 | YEAR INTRODUCED |
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 | B01AE04 | BLOOD AND BLOOD FORMING ORGANS ANTITHROMBOTIC AGENTS ANTITHROMBOTIC AGENTS Direct thrombin inhibitors |
| ATC | B01AE05 | BLOOD AND BLOOD FORMING ORGANS ANTITHROMBOTIC AGENTS ANTITHROMBOTIC AGENTS Direct thrombin inhibitors |
| MeSH PA | D000925 | Anticoagulants |
| MeSH PA | D000991 | Antithrombins |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D006401 | Hematologic Agents |
| MeSH PA | D011480 | Protease Inhibitors |
| MeSH PA | D015842 | Serine Proteinase Inhibitors |
| CHEBI has role | CHEBI:50249 | anticoagulant |
| CHEBI has role | CHEBI:64926 | serine protease inhibitor |
| CHEBI has role | CHEBI:65232 | EC 3.4.21.5 (thrombin) inhibitor |
| CHEBI has role | CHEBI:50266 | prodrug |
Related Drugs by ATC class:
B01AE Direct thrombin inhibitors 5 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Prevention of deep vein thrombosis | indication | 439993001 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.5 | acidic |
| pKa2 | 13.76 | acidic |
| pKa3 | 6.65 | Basic |
| pKa4 | 5.82 | Basic |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Prothrombin | Enzyme | INHIBITOR | Ki | 6.43 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
| Urokinase-type plasminogen activator | Enzyme | Ki | 5.20 | CHEMBL | |||||
| Plasminogen | Enzyme | Ki | 5.74 | CHEMBL | |||||
| Coagulation factor X | Enzyme | Ki | 5.43 | CHEMBL | |||||
| Coagulation factor VII | Enzyme | IC50 | 5.48 | CHEMBL | |||||
| Vitamin K-dependent protein C | Enzyme | IC50 | 5.89 | CHEMBL | |||||
| Coagulation factor XI | Enzyme | IC50 | 4.70 | CHEMBL | |||||
| Tissue-type plasminogen activator | Enzyme | Ki | 5.82 | CHEMBL | |||||
| Cationic trypsin | Enzyme | IC50 | 7.95 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D01981 | KEGG_DRUG |
| 4025284 | VANDF |
| CHEBI:65172 | CHEBI |
| CHEMBL522038 | ChEMBL_ID |
| C426686 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6381 | IUPHAR_LIGAND_ID |
| 8037 | INN_ID |
| DB04898 | DRUGBANK_ID |
| 49HFB70472 | UNII |
| DB13616 | DRUGBANK_ID |
| 415853004 | SNOMEDCT_US |
| C0966370 | UMLSCUI |
| C0668961 | UMLSCUI |
| CHEMBL266349 | ChEMBL_ID |
| 9574101 | PUBCHEM_CID |
| 159776-70-2 | SECONDARY_CAS_RN |
| 183797 | PUBCHEM_CID |
| 6382 | IUPHAR_LIGAND_ID |
| 7414 | INN_ID |
| C109573 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2A9QP32MD4 | UNII |
| CHEBI:43966 | CHEBI |
| 2A9QP32MD4 | INXIGHT DRUGS |
| 49HFB70472 | INXIGHT DRUGS |
Pharmaceutical products:
None