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 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 21 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 2004 | YEAR INTRODUCED |
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 | 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 |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Prevention of deep vein thrombosis | indication | 439993001 |
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 | |||
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 |
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 |
None