General
Preferred name
XIMELAGATRAN
Synonyms
H 376/95 ()
Exanta ()
Exanta (proposed) ()
P&D ID
PD009350
CAS
192939-46-1
Tags
available
prodrug
drug
First approval
2004
Drug Status
investigational
approved
withdrawn
Drug indication
Coagulation defect
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
MOA Ximelagatran was the first member of the drug class of direct thrombin inhibitors that can be taken orally. Its effect is solely related to the inhibition of thrombin.
METABOLISM Ximelagatran is a prodrug, and hence, it requires in vivo conversion to the active agent, melagatran. The activation of ximelagatran is produced in the liver and many other tissues mainly by reactions of dealkylation and dehydroxylation.
DESCRIPTION Ximelagatran is a prodrug of the active prothrombin inhibitor melagatran. Applications for approval of ximelagatran were withdrawn in 2006. (GtoPdb)
Compound Sets
13
Cayman Chemical Bioactives
16862
ChEMBL Approved Drugs
CHEMBL522038
ChEMBL Drugs
CHEMBL522038
DrugBank
DB04898
DrugBank Approved Drugs
DB04898
DrugCentral
2852
DrugCentral Approved Drugs
2852
DrugMAP
DMABRJL
Guide to Pharmacology
6381
MedChem Express Bioactive Compound Library
HY-10787
NPC Screening Collection
ReFrame library
Withdrawn 2.0
w178
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
473.26
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
1
cLogP
1.31
TPSA
143.85
Fraction CSP3
0.58
Chiral centers
2.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
ATC
B01AE05
Toxicity type
hepatic
Therapeutic Class
Anticoagulants
Pathway
Metabolic Enzyme/Protease
Target
Thrombin
Source data