ximelagatran Indications/Contra | FAERs-F | FAERs-M | Orange Bk | 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 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 2004 | YEAR INTRODUCED |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
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 | anticoagulante |
| CHEBI has role | CHEBI:64926 | serine proteinase inhibitors |
| CHEBI has role | CHEBI:65232 | ec 3.4.21.5 inhibitor |
| CHEBI has role | CHEBI:50266 | prodrugs |
Drug Use (View source of the data)
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Prevention of deep vein thrombosis | indication | 439993001 |
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 | |||
| Vitamin K-dependent protein C | Enzyme | IC50 | 5.89 | CHEMBL | |||||
| Tissue-type plasminogen activator | Enzyme | Ki | 5.82 | CHEMBL | |||||
| Plasminogen | Enzyme | Ki | 5.74 | CHEMBL | |||||
| Coagulation factor VII | Enzyme | IC50 | 5.48 | CHEMBL | |||||
| Coagulation factor X | Enzyme | Ki | 5.43 | CHEMBL | |||||
| Coagulation factor XI | Enzyme | IC50 | 4.70 | CHEMBL | |||||
| Cationic trypsin | Enzyme | IC50 | 7.95 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D01981 | KEGG_DRUG |
| 159776-70-2 | SECONDARY_CAS_RN |
| 4025284 | VANDF |
| C1174793 | UMLSCUI |
| C0668961 | UMLSCUI |
| CHEBI:65172 | CHEBI |
| CHEBI:43966 | CHEBI |
| CHEMBL522038 | ChEMBL_ID |
| CHEMBL266349 | ChEMBL_ID |
| C426686 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9574101 | PUBCHEM_CID |
| C109573 | MESH_SUPPLEMENTAL_RECORD_UI |
| 8037 | INN_ID |
| 7414 | INN_ID |
| 49HFB70472 | UNII |
| 2A9QP32MD4 | UNII |
| 183797 | PUBCHEM_CID |
| 6381 | IUPHAR_LIGAND_ID |
| 6382 | IUPHAR_LIGAND_ID |
| DB04898 | DRUGBANK_ID |
| DB13616 | DRUGBANK_ID |
| 415853004 | SNOMEDCT_US |
Pharmaceutical products:
None