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

Stem definitionDrug idCAS RN
145 539-21-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ambazone
  • faringosept
  • 1,4-benzoquinone amidinohydrazone thiosemicarbazone
  • inversal
  • ivertol
  • Molecular weight: 237.29
  • Formula: C8H11N7S
  • CLOGP: 0.59
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 5
  • TPSA: 124.67
  • ALOGS: -3.40
  • ROTB: 2

Drug dosage:

DoseUnitRoute
40 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.333 Moderate 0.68
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.014 Moderate 0.68
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.799 10^-6 cm/s Moderate 0.68
dh-clint Dog hepatocyte intrinsic clearance 1.589 uL/min/10^6 cells Moderate 0.68
dppb Dog plasma protein binding (% unbound) 91.060 % Moderate 0.68
fcs-ppb Fetal calf serum protein binding (% unbound) 89.590 % Moderate 0.68
herg hERG pIC50 4.122 pIC50 Moderate 0.68
hh-clint Human hepatocyte intrinsic clearance 3.342 uL/min/10^6 cells Moderate 0.68
hlm-clint Human liver microsomal intrinsic clearance 4.539 uL/min/mg protein Moderate 0.68
hppb Human plasma protein binding (% unbound) 74.080 % Moderate 0.68
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT1,FLT3,FLT4,GRK2,GRK3,GSK3A,GSK3B,IGF1R,IKBKB,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SGK1,SIK2,SIK3,SRC,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 102
kinase-selectivity-class ACVR2A,ACVR2B,AURKB,AURKC,AXL,BRAF,CAMK2D,CDK16,CDK3,CDK4,CDK9,CLK2,CLK4,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FGFR1,GRK2,GSK3A,GSK3B,HIPK2,IKBKB,IRAK1,JAK2,MAP2K3,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAPK12,MAPK7,MARK4,PIK3CB,PIM3,PRKAA1,PRKDC,SIK2,STK10,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2 49
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.026 Moderate 0.68
mh-clint Mouse hepatocyte intrinsic clearance 2.600 Moderate 0.68
mppb Mouse plasma protein binding (% unbound) 89.460 Moderate 0.68
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.028 Moderate 0.68
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 87.220 % Moderate 0.68
rh-clint Rat hepatocyte intrinsic clearance 1.866 uL/min/10^6 cells Moderate 0.68
rh-fuinc Rat hepatocyte fraction unbound in incubation 95.280 % Moderate 0.68
rppb Rat plasma protein binding (% unbound) 81.360 % Moderate 0.68
solubility-dd Solubility at pH 7.4 in DMSO 881.049 uM Moderate 0.68

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 R02AA01 RESPIRATORY SYSTEM
THROAT PREPARATIONS
THROAT PREPARATIONS
Antiseptics

Related Drugs by ATC class:

R02AA Antiseptics 15 drugs
benzalkoniumbenzethoniumcetrimoniumcetylpyridiniumchlorhexidinechlorquinaldoldequaliniumdichlorobenzyl alcoholeuflavinehexamidinehexylresorcinoloctenidine show all 15 →

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 10.84 acidic
pKa2 11.71 acidic
pKa3 9.28 Basic
pKa4 6.43 Basic
pKa5 0.0 Basic

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
Polyphenol oxidase 2 Enzyme IC50 4.82 CHEMBL
Zinc finger protein mex-5 Cytosolic other EC50 5.01 CHEMBL
Cytoplasmic zinc-finger protein Cytosolic other EC50 4.12 CHEMBL

External reference:

IDSource
D07376 KEGG_DRUG
C0043983 UMLSCUI
CHEBI:134962 CHEBI
CHEMBL2103762 ChEMBL_ID
DB13697 DRUGBANK_ID
1549158 PUBCHEM_CID
822 INN_ID
BYK4592A3Q UNII

Pharmaceutical products:

None