General
Preferred name
GABEXATE
Synonyms
Gabexate Mesylate ()
FOY ()
Gabexate mesilate ()
Gabexate (mesylate) ()
Gabexate Mesilate ()
P&D ID
PD013178
CAS
56974-61-9
39492-01-8
Tags
covalent binder
natural product
drug
available
Drug indication
Pancreatitis
Drug Status
investigational
approved
Max Phase
Phase 3
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)
DESCRIPTION
Gabexate (as the mesylate) is an inhibitor of trypsin-like serine proteases and is used in the treatment of pancreatitis, disseminated intravascular coagulation and as a regional anticoagulant for hemodialysis. The mesylate is PubChem CID 6604561.
(GtoPdb)
DESCRIPTION
Potent and selective 5-HT2C agonist
(Tocris Bioactive Compound Library)
DESCRIPTION
Serine protease inhibitor; inhibits thrombin, trypsin, kallikrein and plasmin
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
26
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CovBinderInPDB
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Total
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
51
Molecular Weight
321.17
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
1
cLogP
1.81
TPSA
114.5
Fraction CSP3
0.44
Chiral centers
0.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Proteases/Proteasome
Metabolic Enzyme/Protease
Target
Serine Protease
PRSS1, TPSAB1
Factor Xa
Proteasome
Primary Target
Protease-Activated Receptors
MOA
Inhibitor
AP-1 Inhibitors
Tryptase Inhibitors
NF-kappaB (NFKB) Activation Inhibitors
MATE1 Inhibitors
"AP-1 Inhibitors
MATE1 Inhibitors"
Serine Protease inhibitor
Member status
member
Indication
pancreatitis
Source data
