dexibuprofen 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | 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

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.983 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.254 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 157.036 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 12.023 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 1.220 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 2.730 % High 1
herg hERG pIC50 4.095 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 12.503 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 4.457 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 1.140 % High 1
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,IKBKB,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 36
kinase-selectivity-class AXL,EIF2AK3,GRK2 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.504 High 1
mh-clint Mouse hepatocyte intrinsic clearance 137.721 High 1
mppb Mouse plasma protein binding (% unbound) 6.060 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.134 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 High 1
pppb Pig plasma protein binding (% unbound) 1.720 % High 1
rh-clint Rat hepatocyte intrinsic clearance 51.642 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 89.220 % High 1
rppb Rat plasma protein binding (% unbound) 1.250 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 816.582 uM High 1

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Hemianopia 134.31 47.38 22 776 2060 90625589
White blood cell count decreased 65.51 47.38 31 767 167078 90460571
Skin fissures 60.38 47.38 17 781 20792 90606857
Sopor 53.18 47.38 16 782 24628 90603021
Ascites 50.24 47.38 18 780 47722 90579927

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Hemianopia 121.10 41.35 21 923 2847 110585508
Skin fissures 53.77 41.35 16 928 24442 110563913
White blood cell count decreased 51.51 41.35 29 915 229361 110358994
Sopor 43.52 41.35 15 929 36531 110551824

FDA Adverse Event Reporting System (Pediatric)

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:35475 non-steroidal anti-inflammatory drug
CHEBI has role CHEBI:35480 analgesic
CHEBI has role CHEBI:35481 non-narcotic analgesic

Related Drugs by ATC class:

M01AE Propionic acid derivatives 21 drugs
alminoprofenbenoxaprofendexketoprofendiphenhydramineesomeprazolefenbufenfenoprofenflunoxaprofenflurbiprofenibuprofenibuproxamindoprofen show all 21 →

Drug Use | Suggest Off label Use Form| |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




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

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
Prostaglandin G/H synthase 2 Enzyme IC50 6.14 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 7.01 CHEMBL
Aldo-keto reductase family 1 member C2 Enzyme IC50 4.37 CHEMBL
Aldo-keto reductase family 1 member C3 Enzyme IC50 4.49 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 5.83 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 5.82 CHEMBL

External reference:

IDSource
D03715 KEGG_DRUG
C2714681 UMLSCUI
CHEBI:43415 CHEBI
IBP PDB_CHEM_ID
CHEMBL175 ChEMBL_ID
DB09213 DRUGBANK_ID
39912 PUBCHEM_CID
C539402 MESH_SUPPLEMENTAL_RECORD_UI
6426 INN_ID
671DKG7P5S UNII
006963 NDDF
418027007 SNOMEDCT_US
418868002 SNOMEDCT_US
671DKG7P5S INXIGHT DRUGS

Pharmaceutical products:

None