General
Preferred name
GABEXATE
Synonyms
Gabexate Mesylate ()
FOY ()
Gabexate mesilate ()
Gabexate (mesylate) ()
Gabexate monomethanesulfonate ()
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
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
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)
Compound Sets
27
Cayman Chemical Bioactives
23767
ChEMBL Drugs
CHEMBL87563
Concise Guide to Pharmacology 2017/18
7863
Concise Guide to Pharmacology 2019/20
7863
Concise Guide to Pharmacology 2021/22
7863
Concise Guide to Pharmacology 2023/24
7863
CovBinderInPDB
CBR000788
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB12831
DrugCentral
3257
DrugCentral Approved Drugs
3257
DrugMAP
DMU9D2F
DrugMAP Approved Drugs
DMU9D2F
EU-OPENSCREEN Bioactive Compound Library
EOS100611
Guide to Pharmacology
7863
MedChem Express Bioactive Compound Library
HY-B0385
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
gabexate-mesylate
TargetMol Bioactive Compound Library
T0372
Tocris Bioactive Compound Library
1798
Tocriscreen Total
ZINC Tool Compounds
ZINC000002002226
External IDs
51
Properties
(calculated by RDKit )
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