ximelagatran ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
thrombin inhibitors, antithrombotic agents 2852 192939-46-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • H-376/95
  • H 376/95
  • ximelagatran
  • exanta
  • Molecular weight: 473.57
  • Formula: C24H35N5O5
  • CLOGP: 1.77
  • LIPINSKI: 0
  • HAC: 10
  • HDO: 5
  • TPSA: 143.85
  • ALOGS: -3.60
  • ROTB: 11

Drug dosage:

DoseUnitRoute
6 mg P
48 mg O

ADMET properties:

PropertyValueReference
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

Approvals:

DateAgencyCompanyOrphan
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:

SourceCodeDescription
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

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Prevention of deep vein thrombosis indication 439993001




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA 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

External reference:

IDSource
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
6382 IUPHAR_LIGAND_ID
8037 INN_ID
159776-70-2 SECONDARY_CAS_RN
DB04898 DRUGBANK_ID
49HFB70472 UNII
9574101 PUBCHEM_CID
183797 PUBCHEM_CID
DB13616 DRUGBANK_ID
415853004 SNOMEDCT_US
C0966370 UMLSCUI
C0668961 UMLSCUI
CHEMBL266349 ChEMBL_ID
7414 INN_ID
2A9QP32MD4 UNII

Pharmaceutical products:

None