Details of the Drug

General Information of Drug (ID: DMOSJD0)

• Drug Name: Sivelestat sodium hydrate
• Synonyms: sivelestat sodium hydrate; Sivelestat sodium tetrahydrate; 201677-61-4; Elaspol; Sodium sivelestat; EI546 sodium; UNII-737RR8Y409; Sivelestat (sodium tetrahydrate); LY544349 sodium; Sivelestat sodium [USAN]; Sivelestat sodium (USAN); 737RR8Y409; DSSTox_CID_26727; DSSTox_RID_81857; DSSTox_GSID_46727; sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate tetrahydrate; LY544349 Sodium Hydrate; Elaspol (TN); CAS-201677-61-4; NCGC00167577-01; AC1L4KMF; Sivelestat sodium hydrate (JAN); Sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate tetrahydrate; Sodium ((2-(((4-((2,2-dimethylpropanoyl)oxy)phenyl)sulfonyl)amino)benzoyl)amino)acetate tetrahydrate; Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-, monosodium salt, tetrahydrate

Indication

Disease Entry	ICD 11	Status	REF
Acute lung injury	NB32.3	Phase 4	[1]
Community-acquired pneumonia	CA40.Z	Phase 2	[2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 528.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 12
• Chemical Identifiers:
  Formula: C20H29N2NaO11S
  IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
  Canonical SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].O.O.O.O.[Na+]
  InChI: InChI=1S/C20H22N2O7S.Na.4H2O/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);;4*1H2/q;+1;;;;/p-1
  InChIKey: PLHREJBSQUSUCW-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 23663985
  ChEBI ID: CHEMBL32133
  CAS Number: 201677-61-4
  TTD ID: D05QHL
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neutrophil elastase (NE)	TTPLTSQ	ELNE_HUMAN	Inhibitor	[3]
Serine protease unspecific (SP)	TTEMV5X	NOUNIPROTAC	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Acute lung injury
• ICD Disease Classification: NB32.3

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Neutrophil elastase (NE)	DTT	ELANE	2.35E-01	-0.55	-0.82

References

• [1] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [2] Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.
• [3] Emerging therapies for treatment of acute lung injury and acute respiratory distress syndrome. Expert Opin Emerg Drugs. 2007 Sep;12(3):461-77.