gabexate

Ligand id: 7863

Name: gabexate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 117
Molecular weight 321.17
XLogP 2.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (Japan)
IUPAC Name
ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
International Nonproprietary Names
INN number INN
3988 gabexate
Database Links
CAS Registry No. 39492-01-8 (source: Scifinder)
ChEMBL Ligand CHEMBL87563
PubChem CID 3447
Search Google for chemical match using the InChIKey YKGYIDJEEQRWQH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YKGYIDJEEQRWQH
Search PubMed clinical trials gabexate
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Search UniChem for chemical match using the InChIKey YKGYIDJEEQRWQH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YKGYIDJEEQRWQH
Wikipedia Gabexate
Comments
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.