dexibuprofen Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
anti-inflammatory agents, ibuprofen derivatives 3851 51146-56-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dexibuprofen
  • Molecular weight: 206.29
  • Formula: C13H18O2
  • CLOGP: 3.68
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -3.48
  • ROTB: 4

Drug dosage:

DoseUnitRoute
0.80 g O

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC M01AE14 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Propionic acid derivatives
CHEBI has role CHEBI:35481 non-narcotic analgesic
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Pain indication 22253000
Rheumatoid arthritis indication 69896004 DOID:7148
Headache disorder indication 230461009
Dysmenorrhea indication 266599000
Fever indication 386661006
Osteoarthritis indication 396275006
Juvenile rheumatoid arthritis indication 410795001

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.37 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Aldo-keto reductase family 1 member C3 Enzyme IC50 4.49 CHEMBL
Aldo-keto reductase family 1 member C2 Enzyme IC50 4.37 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 7.01 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 6.14 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 5.82 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 5.83 CHEMBL

External reference:

IDSource
D03715 KEGG_DRUG
671DKG7P5S UNII
6426 INN_ID
418027007 SNOMEDCT_US
418868002 SNOMEDCT_US
006963 NDDF
39912 PUBCHEM_CID
CHEBI:43415 CHEBI
CHEMBL175 ChEMBL_ID
DB09213 DRUGBANK_ID
C539402 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None