Stem definition | Drug id | CAS RN |
---|---|---|
thrombin inhibitors, antithrombotic agents | 2852 | 192939-46-1 |
Molecule | Description |
---|---|
Synonyms:
|
|
Dose | Unit | Route |
---|---|---|
6 | mg | P |
48 | mg | O |
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 2.17 ยตM/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 |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 2004 | YEAR INTRODUCED |
None
None
None
None
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 | anticoagulants |
CHEBI has role | CHEBI:64926 | serine protease inhibitors |
CHEBI has role | CHEBI:65232 | thrombin inhibitors |
CHEBI has role | CHEBI:50266 | Prodrugs |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Prevention of deep vein thrombosis | indication | 439993001 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 9.5 | acidic |
pKa2 | 13.76 | acidic |
pKa3 | 6.65 | Basic |
pKa4 | 5.82 | Basic |
None
None
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 | |||
Plasminogen | Enzyme | Ki | 5.74 | CHEMBL | |||||
Coagulation factor X | Enzyme | Ki | 5.43 | CHEMBL | |||||
Tissue-type plasminogen activator | Enzyme | Ki | 5.82 | CHEMBL | |||||
Urokinase-type plasminogen activator | Enzyme | Ki | 5.20 | CHEMBL | |||||
Vitamin K-dependent protein C | Enzyme | IC50 | 5.89 | CHEMBL | |||||
Coagulation factor XI | Enzyme | IC50 | 4.70 | CHEMBL | |||||
Coagulation factor VII | Enzyme | IC50 | 5.48 | CHEMBL | |||||
Cationic trypsin | Enzyme | IC50 | 7.95 | CHEMBL |
ID | Source |
---|---|
D01981 | KEGG_DRUG |
4025284 | VANDF |
CHEBI:65172 | CHEBI |
CHEBI:43966 | CHEBI |
CHEMBL522038 | ChEMBL_ID |
C426686 | MESH_SUPPLEMENTAL_RECORD_UI |
C109573 | 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 |
7414 | INN_ID |
159776-70-2 | SECONDARY_CAS_RN |
183797 | PUBCHEM_CID |
6382 | IUPHAR_LIGAND_ID |
2A9QP32MD4 | UNII |
None