CAMOSTAT MESILATE

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Synonyms
Status
Molecule Category Free-form
UNII 451M50A1EQ
EPA CompTox DTXSID0020238

Structure

InChI Key FSEKIHNIDBATFG-UHFFFAOYSA-N
Smiles CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O
InChI
InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N4O8S
Molecular Weight 494.53
AlogP 1.39
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 134.81
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 50.6 - - -

Cross References

Resources Reference
ChEBI 31347
ChEMBL CHEMBL85164
FDA SRS 451M50A1EQ
SureChEMBL SCHEMBL871583
CONTENTS