General
Preferred name
LETAXABAN
Synonyms
TAK-442 ()
TAK 442 ()
TAK442 ()
P&D ID
PD058754
CAS
870262-90-1
Tags
available
drug candidate
Drug indication
Thrombosis
Acute coronary syndrome
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 759
DESCRIPTION Letaxaban, also known as TAK-442, is a potent, selective, and orally active factor Xa inhibitor, which is a tetrahydropyrimidin-2(1H)-one derivative. TAK-442inhibited endogenous FXa activity in platelet-poor human [half-maximal inhibitory concentration (IC(50)): 53 nM, TAK-442] and rat (IC(50): 32 nM, TAK-442) plasma. TAK-442 inhibited in vitro reconstituted human prothrombinase (system included FXa, calcium, and washed platelets) with an IC(50) value of 51 nM. In a rat model of balloon injury, thrombin activity on the surface of injured vessels increased to 3.2-, 22-, and 5.8-fold the activity on the surface of the intact aorta at 5 minutes, 1 hour, and 24 hours after the injury, respectively. At approximately 1 hour after the injury, TAK-442 blocked platelet-associated thrombin generation on the surface of injured aortas with an IC(50) value of 19 nM. (BOC Sciences Bioactive Compounds)
DESCRIPTION Letaxaban (TAK-442) is a small molecule Xa factor inhibitor that can be used to study polar coronary syndromes and thrombotic blockages. (TargetMol Bioactive Compound Library)
Compound Sets
8
BOC Sciences Bioactive Compounds
letaxaban-cas-870262-90-1-item-84-262412
ChEMBL Drugs
CHEMBL1095032
DrugBank
DB11984
DrugMAP
DMG4RFO
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1095032
ReFrame library
TargetMol Bioactive Compound Library
T68092
ZINC Tool Compounds
ZINC000013986542
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
479.13
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
2.24
TPSA
110.51
Fraction CSP3
0.45
Chiral centers
1.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Factor Xa
Pathway
Metabolism
Source data