UPAMOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII S5M7KW6U17

Structure

InChI Key HUASEDVYRABWCV-NDEPHWFRSA-N
Smiles CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(/C(N)=N\O)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1
InChI
InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34-40)35-44(41,42)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35,40H,8,12-15,17H2,1-7H3,(H2,33,34)/t28-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H47N5O6S
Molecular Weight 629.82
AlogP 4.34
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 154.63
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - 410 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 410 -

Cross References

Resources Reference
ChEMBL CHEMBL4206119
DrugBank DB13052
FDA SRS S5M7KW6U17
PubChem 9852201
SureChEMBL SCHEMBL12618906
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