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

Stem definitionDrug idCAS RN
anti-inflammatory agents, ibuprofen derivatives 5060 51543-39-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • loqoa
  • esflurbiprofen
  • TT-063
  • Molecular weight: 244.27
  • Formula: C15H13FO2
  • CLOGP: 3.75
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -3.99
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.022 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.465 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 188.365 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 12.560 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 0.390 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 1.400 % High 1
herg hERG pIC50 4.200 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 8.710 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.690 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 0.480 % High 1
kinase-safety-class ACVR2B,AXL,EIF2AK3,GRK2,PDK1,PDK2,PDK4,PIK3CG,PRKDC,TGFBR1 10
kinase-selectivity-class AXL 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.517 High 1
mh-clint Mouse hepatocyte intrinsic clearance 77.804 High 1
mppb Mouse plasma protein binding (% unbound) 3.470 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.222 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 1.160 % High 1
rh-clint Rat hepatocyte intrinsic clearance 9.419 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 84.210 % High 1
rppb Rat plasma protein binding (% unbound) 0.650 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 950.605 uM High 1

Approvals:

DateAgencyCompanyOrphan
Sept. 28, 2015 PMDA Taisho Pharmaceutical Co., Ltd.

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC M02AA29 MUSCULO-SKELETAL SYSTEM
TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Antiinflammatory preparations, non-steroids for topical use

Related Drugs by ATC class:

M02AA Antiinflammatory preparations, non-steroids for topical use 28 drugs
aceclofenacbendazacbenzydaminebufexamacclofezonedexketoprofendiclofenacetofenamatefelbinacfentiazacfeprazoneflurbiprofen show all 28 →

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Osteoarthritis indication 396275006




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.2 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 6.04 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 7.52 CHEMBL

External reference:

IDSource
J5ZZK9P7MX UNII
D10254 KEGG_DRUG
C2825249 UMLSCUI
CHEBI:42446 CHEBI
CHEMBL435298 ChEMBL_ID
72099 PUBCHEM_CID
DB16159 DRUGBANK_ID
5776 INN_ID
9420 IUPHAR_LIGAND_ID
019240 NDDF
FLP PDB_CHEM_ID
J5ZZK9P7MX INXIGHT DRUGS

Pharmaceutical products:

None