Details of the Drug

General Information of Drug (ID: DMSO2T9)

Drug Name
Ibuproxam
Synonyms
Ibuproxam; Ibudros; Ibuproxamum; 53648-05-8; Ibuproxam [INN]; n-hydroxy-2-(4-isobutylphenyl)propanamide; G-277; BRN 2267673; CHEMBL292707; CHEBI:76160; D,L-2-(4-Isobutylphenyl)propiohydroxamic acid; p-Isobutylhydratropohydroxamic acid; Ibuproxam (INN); D,L-N-Hydroxy-alpha-methyl-4-(2-methylpropyl)benzeneacetamide; N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide; Propionohydroxamic acid, 2-(p-isobutylphenyl)-, D,L-; Deflogon; Ibuproxamum [INN-Latin]; (S)-Ibuproxam; 73826-33-2; Ibudros (TN); EINECS 258-683-8; NSC 305528
Indication
Disease Entry ICD 11 Status REF
Respiratory disease CB40 Withdrawn from market [1]
ATC Code
M01AE13: Ibuproxam
M01AE: Propionic acid derivatives
M01A: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M: MUSCULO-SKELETAL SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.29
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H19NO2
IUPAC Name
N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO
InChI
InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)
InChIKey
BYPIURIATSUHDW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68704
ChEBI ID
CHEBI:76160
CAS Number
53648-05-8
UNII
O3LD16O96Z
DrugBank ID
DB08955
TTD ID
D0U2CB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Respiratory disease
ICD Disease Classification CB40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Anti-inflammatory agents: determination of ibuproxam and its metabolite humans. Correlation between bioavailability, tolerance and chemico-physical characteristics. Arzneimittelforschung. 1980;30(9):1607-9.
2 In vivo characterization of hydroxamic acid inhibitors of 5-lipoxygenase. J Med Chem. 1987 Nov;30(11):2121-6.