Details of the Drug

General Information of Drug (ID: DM6BZCV)

Drug Name
Sivelestat
Synonyms
127373-66-4; UNII-DWI62G0P59; 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid; Elastase Inhibitor IV; C20H22N2O7S; N-(2-(4-(2,2-Dimethylpropionyloxy)phenylsulfonylamino)benzoyl)aminoacetic acid; Sivelestat (ONO-5046); LY544349; CHEMBL76688; LY 544349; DWI62G0P59; Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-; N-(o-(p-Pivaloyloxybenzene)sulfonylaminobenzoyl)glycine
Indication
Disease Entry ICD 11 Status REF
Crohn disease DD70 Phase 3 [1]
Multiple sclerosis 8A40 Phase 3 [1]
Psoriatic arthritis FA21 Phase 3 [1]
Pyoderma gangrenosum EB21 Phase 3 [2]
Rheumatoid arthritis FA20 Phase 3 [1]
Ulcerative colitis DD71 Phase 3 [1]
Anterior uveitis 9A96 Application submitted [3]
Axial spondyloarthritis FA92.0 Application submitted [1]
⏷ Show the Full List of Indication(s)
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 434.5
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C20H22N2O7S
IUPAC Name
2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
Canonical SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O
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)
InChIKey
BTGNGJJLZOIYID-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
107706
ChEBI ID
CHEBI:135704
CAS Number
127373-66-4
DrugBank ID
DB12863
TTD ID
D0FT4R
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD 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 [4]
Pancreatic elastase 1 (CELA1) TT3NKIB CELA1_HUMAN Inhibitor [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Crohn disease
ICD Disease Classification DD70
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neutrophil elastase (NE) DTT ELANE 9.42E-01 0.02 0.07
Neutrophil elastase (NE) DTT ELANE 1.43E-02 0.05 0.2
Pancreatic elastase 1 (CELA1) DTT CELA1 8.56E-02 0.06 0.25
Pancreatic elastase 1 (CELA1) DTT CELA1 3.82E-02 0.19 0.7
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Neutrophil elastase inhibitor (sivelestat) reduces the levels of inflammatory mediators by inhibiting NF-kB. Inflamm Res. 2009 Apr;58(4):198-203.
5 Sivelestat (selective neutrophil elastase inhibitor) improves the mortality rate of sepsis associated with both acute respiratory distress syndrome... Shock. 2010 Jan;33(1):14-8.