indobufen 🐶 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 1439 63610-08-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • indobufen
  • ibustrin
  • K 3920
  • K-3920
thromboxane A2 antagonist
  • Molecular weight: 295.34
  • Formula: C18H17NO3
  • CLOGP: 3.27
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 57.61
  • ALOGS: -3.58
  • ROTB: 4

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 13 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 19.35 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 85 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.139 Moderate 0.73
caco2-efflux Caco-2 efflux ratio (BA/AB) 2.979 Moderate 0.73
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 52.240 10^-6 cm/s Moderate 0.73
dh-clint Dog hepatocyte intrinsic clearance 2.371 uL/min/10^6 cells Moderate 0.73
dppb Dog plasma protein binding (% unbound) 4.420 % Moderate 0.73
fcs-ppb Fetal calf serum protein binding (% unbound) 7.830 % Moderate 0.73
herg hERG pIC50 4.600 pIC50 Moderate 0.73
hh-clint Human hepatocyte intrinsic clearance 1.358 uL/min/10^6 cells Moderate 0.73
hlm-clint Human liver microsomal intrinsic clearance 3.119 uL/min/mg protein Moderate 0.73
hppb Human plasma protein binding (% unbound) 2.770 % Moderate 0.73
kinase-safety-class ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,IKBKB,ITK,MAP2K6,MAPK7,MAPKAPK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 23
kinase-selectivity-class AXL,EIF2AK3,GRK2,MAP2K6 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 7.396 Moderate 0.73
mh-clint Mouse hepatocyte intrinsic clearance 7.482 Moderate 0.73
mppb Mouse plasma protein binding (% unbound) 8.880 Moderate 0.73
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.128 Moderate 0.73
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.460 % Moderate 0.73
rh-clint Rat hepatocyte intrinsic clearance 2.004 uL/min/10^6 cells Moderate 0.73
rh-fuinc Rat hepatocyte fraction unbound in incubation 85.450 % Moderate 0.73
rppb Rat plasma protein binding (% unbound) 1.900 % Moderate 0.73
solubility-dd Solubility at pH 7.4 in DMSO 946.237 uM Moderate 0.73

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1984 YEAR INTRODUCED

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 B01AC10 BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Platelet aggregation inhibitors excl. heparin
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 D006401 Hematologic Agents
MeSH PA D010975 Platelet Aggregation 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:38070 anti-arrhythmia drug
CHEBI has role CHEBI:50249 anticoagulant

Related Drugs by ATC class:

B01AC Platelet aggregation inhibitors excl. heparin 24 drugs
abciximabacetylsalicylic acidaloxiprinberaprostcangrelorcarbasalate calciumcilostazolclopidogrelcloricromendipyridamoleditazoleepoprostenol show all 24 →

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.11 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 WOMBAT-PK
Prostaglandin G/H synthase 1 Enzyme WOMBAT-PK

External reference:

IDSource
D07141 KEGG_DRUG
C0063479 UMLSCUI
CHEBI:135239 CHEBI
CHEMBL1765292 ChEMBL_ID
DB12545 DRUGBANK_ID
C020371 MESH_SUPPLEMENTAL_RECORD_UI
107641 PUBCHEM_CID
4398 INN_ID
6T9949G4LZ UNII
27518 RXNORM
006129 NDDF
717166005 SNOMEDCT_US

Pharmaceutical products:

None