SIVELESTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DWI62G0P59

Structure
InChI Key BTGNGJJLZOIYID-UHFFFAOYSA-N
Smile CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1
InChI
InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N2O7S
Molecular Weight 434.47
AlogP 2.25
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 138.87
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Primary Target
elastase, neutrophil expressed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 10-136 - 37-200 -

Indications

Mesh Heading Maximum Phase Reference
Acute Lung Injury; Lung Injury; Respiratory Distress Syndrome, Adult; Respiratory Distress Syndrome, Newborn; Wounds and Injuries Phase 1/Phase 2 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 127373-66-4
ChEBI 135704
ChEMBL CHEMBL76688
DrugBank DB12863
DrugCentral 2452
EPA CompTox DTXSID9048304
FDA SRS DWI62G0P59
Guide to Pharmacology 6441
PubChem 107706
SureChEMBL SCHEMBL123221
ZINC ZINC000021298097
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