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

Stem definitionDrug idCAS RN
antiarrhythmics 317 1477-19-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzarone
  • benzaron
antihemorrhagic agent; structure
  • Molecular weight: 266.30
  • Formula: C17H14O3
  • CLOGP: 4.64
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 50.44
  • ALOGS: -4.05
  • ROTB: 3

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Hosey CM, Chan R, Benet LZ
S (Water solubility) 0.02 mg/mL Bocci G, Oprea TI, Benet LZ

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.416 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.622 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 31.842 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 77.983 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 0.170 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 0.410 % High 1
herg hERG pIC50 4.784 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 149.279 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 53.333 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 0.330 % High 1
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 61
kinase-selectivity-class ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K3,MAP2K6,MAPK12,MAPK7,MARK4,PIK3CD,PRKDC,SIK2,SIK3,STK10,STK33,TEK,TTK,ULK1 26
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.104 High 1
mh-clint Mouse hepatocyte intrinsic clearance 227.510 High 1
mppb Mouse plasma protein binding (% unbound) 0.390 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.301 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.67
pppb Pig plasma protein binding (% unbound) 0.530 % High 1
rh-clint Rat hepatocyte intrinsic clearance 287.078 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 4.090 % High 1
rppb Rat plasma protein binding (% unbound) 0.290 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 52.966 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
MeSH PA D002317 Cardiovascular Agents
MeSH PA D005343 Fibrinolytic Agents
MeSH PA D006401 Hematologic Agents

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 7.12 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
Solute carrier family 22 member 12 Transporter IC50 5.55 CHEMBL
Eyes absent homolog 3 Enzyme IC50 4.77 CHEMBL
Eyes absent homolog 3 Enzyme IC50 4.72 CHEMBL

External reference:

IDSource
18923 RXNORM
C0053152 UMLSCUI
CHEBI:34559 CHEBI
CHEMBL1474963 ChEMBL_ID
C004528 MESH_SUPPLEMENTAL_RECORD_UI
255968 PUBCHEM_CID
1426 INN_ID
23ZW4BG89C UNII
23ZW4BG89C INXIGHT DRUGS

Pharmaceutical products:

None