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

References
1. Erba F, Fiorucci L, Pascarella S, Menegatti E, Ascenzi P, Ascoli F. (2001)
Selective inhibition of human mast cell tryptase by gabexate mesylate, an antiproteinase drug.
Biochem. Pharmacol.61 (3): 271-6. [PMID:11172730]
2. Ino Y, Arita Y, Akashi T, Kimura T, Igarashi H, Oono T, Furukawa M, Kawabe K, Ogoshi K, Ouchi J et al.. (2008)
Continuous regional arterial infusion therapy with gabexate mesilate for severe acute pancreatitis.
World J. Gastroenterol.14 (41): 6382-7. [PMID:19009656]