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

Stem definitionDrug idCAS RN
3160 486-79-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dipyrocetyl
  • artromialgina
  • movirene
  • pyrocat
  • Molecular weight: 238.20
  • Formula: C11H10O6
  • CLOGP: 0.28
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 1
  • TPSA: 89.90
  • ALOGS: -2.23
  • ROTB: 5

Drug dosage:

DoseUnitRoute
3 g O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -2.703 Moderate 0.70
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.741 Moderate 0.70
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.377 10^-6 cm/s Moderate 0.70
dh-clint Dog hepatocyte intrinsic clearance 24.660 uL/min/10^6 cells Moderate 0.70
dppb Dog plasma protein binding (% unbound) 84.060 % Moderate 0.70
fcs-ppb Fetal calf serum protein binding (% unbound) 73.410 % Moderate 0.70
herg hERG pIC50 3.836 pIC50 Moderate 0.70
hh-clint Human hepatocyte intrinsic clearance 18.535 uL/min/10^6 cells Moderate 0.70
hlm-clint Human liver microsomal intrinsic clearance 64.863 uL/min/mg protein Moderate 0.70
hppb Human plasma protein binding (% unbound) 75.340 % Moderate 0.70
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 73
kinase-selectivity-class ACVR2A,ACVR2B,AURKB,AXL,BRAF,CAMK2B,CDK9,DDR1,DYRK1B,DYRK3,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,HIPK2,JAK2,MAP2K3,MAP2K6,MAP3K14,MAPK7,MAPK8,MARK4,MTOR,PIK3CG,PRKAA1,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK 33
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.506 Moderate 0.70
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.552 Moderate 0.70
mh-clint Mouse hepatocyte intrinsic clearance 1104.079 Moderate 0.70
mppb Mouse plasma protein binding (% unbound) 90.700 Moderate 0.70
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.638 Moderate 0.70
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.70
pppb Pig plasma protein binding (% unbound) 60.220 % Moderate 0.70
rat-kpuu-brain Rat brain Kpuu 0.048 % Moderate 0.70
rh-clint Rat hepatocyte intrinsic clearance 101.859 uL/min/10^6 cells Moderate 0.70
rh-fuinc Rat hepatocyte fraction unbound in incubation 99.180 % Moderate 0.70
rppb Rat plasma protein binding (% unbound) 59.830 % Moderate 0.70
solubility-dd Solubility at pH 7.4 in DMSO 732.825 uM Moderate 0.70

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 M01BA02 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY/ANTIRHEUMATIC AGENTS IN COMBINATION
Antiinflammatory/antirheumatic agents in combination with corticosteroids
ATC N02BA09 NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Salicylic acid and derivatives
ATC N02BA59 NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Salicylic acid and derivatives
ATC N02BA79 NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Salicylic acid and derivatives

Related Drugs by ATC class:

M01BA Antiinflammatory/antirheumatic agents in combination with corticosteroids 2 drugs
acetylsalicylic acidphenylbutazone
N02BA Salicylic acid and derivatives 11 drugs
acetylsalicylic acidaloxiprinbenorilatecarbasalate calciumdiflunisalethenzamideguacetisalmagnesium salicylatesalicylamidesalicylic acidsalsalate

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 3.7 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07290 KEGG_DRUG
C2825247 UMLSCUI
CHEBI:107635 CHEBI
CHEMBL1451173 ChEMBL_ID
DB13839 DRUGBANK_ID
68093 PUBCHEM_CID
645 INN_ID
EF5UVE254C UNII
EF5UVE254C INXIGHT DRUGS

Pharmaceutical products:

None