General
Preferred name
MELAGATRAN
Synonyms
P&D ID
PD051062
CAS
159776-70-2
Tags
available
drug
Drug Status
approved
experimental
Max Phase
4.0
Drug indication
Recurrent thrombophlebitis
First approval
2004
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE
1525
DESCRIPTION
Active metabolite (drug) from the prodrug ximelagatran
(GtoPdb)
DESCRIPTION
Melagatran is an orally available, direct synthetic thrombin inhibitor that does not require endogenous cofactors other than thrombin and does not significantly interact with any other enzymes in the coagulation cascade or with the fibrinolytic enzymes.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
DrugBank
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Molecular Weight
429.24
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
5
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
1
cLogP
0.81
TPSA
148.61
Fraction CSP3
0.55
Chiral centers
2.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Thrombin
AP-1
NF-κB
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
Proteases/Proteasome
Source data
