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

Action Mechanism of Action Reference
INHIBITOR Leukocyte elastase inhibitor
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
- 3.5-338220 - 24-200 -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 1300 - 590 -
Enzyme Transferase
- - - - 11.1
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -2.63-30.36
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 142200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Diseases 3 D006331 ClinicalTrials
Sepsis 3 D018805 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
CONTENTS