fenbufen ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
non-steroidal anti-inflammatory agents, arylbutanoic acid derivatives 1145 36330-85-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • fenbufen
  • bufemid
  • lederfen
  • napanol
an orally active nonsteroidal anti-inflammatory drug with analgesic and antipyretic activity
  • Molecular weight: 254.29
  • Formula: C16H14O3
  • CLOGP: 3.14
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 54.37
  • ALOGS: -4.32
  • ROTB: 5

Drug dosage:

DoseUnitRoute
0.60 g O

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 50.56 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 78 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.687 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.948 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 117.220 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 15.740 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 1.580 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 3.670 % High 1
herg hERG pIC50 4.575 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 7.396 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.573 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 2.070 % High 1
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK7,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PRKDC,STK33,TEK,TGFBR1,TTK 29
kinase-selectivity-class AXL,GRK2 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.027 High 1
mh-clint Mouse hepatocyte intrinsic clearance 115.080 High 1
mppb Mouse plasma protein binding (% unbound) 7.040 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.618 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 2.950 % High 1
rh-clint Rat hepatocyte intrinsic clearance 35.892 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 78.680 % High 1
rppb Rat plasma protein binding (% unbound) 1.910 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 907.821 uM High 1

Approvals:

None

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 M01AE05 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Propionic acid derivatives
MeSH PA D000700 Analgesics
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D000894 Anti-Inflammatory Agents, Non-Steroidal
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D016861 Cyclooxygenase Inhibitors
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018501 Antirheumatic Agents
MeSH PA D018689 Sensory System Agents
MeSH PA D018712 Analgesics, Non-Narcotic
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug

Related Drugs by ATC class:

M01AE Propionic acid derivatives 21 drugs

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

None




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.68 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 INHIBITOR WOMBAT-PK SCIENTIFIC LITERATURE
Prostaglandin G/H synthase 1 Enzyme INHIBITOR WOMBAT-PK SCIENTIFIC LITERATURE
Prostaglandin G/H synthase 1 Enzyme IC50 5.41 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 5.09 CHEMBL

External reference:

IDSource
D01344 KEGG_DRUG
C0060156 UMLSCUI
CHEBI:31599 CHEBI
CHEMBL277522 ChEMBL_ID
DB08981 DRUGBANK_ID
C010725 MESH_SUPPLEMENTAL_RECORD_UI
3335 PUBCHEM_CID
3439 INN_ID
9815R1WR9B UNII
151967 RXNORM
004090 NDDF
329623001 SNOMEDCT_US
396052008 SNOMEDCT_US

Pharmaceutical products:

None