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

Stem definitionDrug idCAS RN
antihypertensives, guanidine derivatives 1345 24047-25-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • guanoxabenz
  • hydroxyguanabenz
  • guanoxabenz hydrochloride
  • Molecular weight: 247.08
  • Formula: C8H8Cl2N4O
  • CLOGP: 1.53
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 4
  • TPSA: 80.50
  • ALOGS: -3.41
  • ROTB: 2

Drug dosage:

DoseUnitRoute
25 mg O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.715 Moderate 0.73
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.640 Moderate 0.73
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 38.282 10^-6 cm/s Moderate 0.73
dh-clint Dog hepatocyte intrinsic clearance 20.230 uL/min/10^6 cells Moderate 0.73
dppb Dog plasma protein binding (% unbound) 28.570 % Moderate 0.73
fcs-ppb Fetal calf serum protein binding (% unbound) 37.440 % Moderate 0.73
herg hERG pIC50 4.401 pIC50 Moderate 0.73
hh-clint Human hepatocyte intrinsic clearance 16.368 uL/min/10^6 cells Moderate 0.73
hlm-clint Human liver microsomal intrinsic clearance 12.023 uL/min/mg protein Moderate 0.73
hppb Human plasma protein binding (% unbound) 19.930 % Moderate 0.73
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 59
kinase-selectivity-class AXL,BRAF,CDK9,DDR1,EIF2AK3,EPHB4,ERBB2,GRK2,LYN,MAPK7,PDK4,PIK3CD,SIK2,SIK3,STK33,TEK,UHMK1 17
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.300 Moderate 0.73
mh-clint Mouse hepatocyte intrinsic clearance 86.896 Moderate 0.73
mppb Mouse plasma protein binding (% unbound) 25.180 Moderate 0.73
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.219 Moderate 0.73
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 26.410 % Moderate 0.73
rh-clint Rat hepatocyte intrinsic clearance 59.704 uL/min/10^6 cells Moderate 0.73
rh-fuinc Rat hepatocyte fraction unbound in incubation 87.650 % Moderate 0.73
rppb Rat plasma protein binding (% unbound) 30.390 % Moderate 0.73
solubility-dd Solubility at pH 7.4 in DMSO 580.764 uM Moderate 0.73

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 C02CC07 CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Guanidine derivatives

Related Drugs by ATC class:

C02CC Guanidine derivatives 6 drugs
betanidinedebrisoquineguanazodineguanethidineguanoclorguanoxan

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 7.92 acidic
pKa2 4.36 Basic
pKa3 0.0 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D04398 KEGG_DRUG
C0061990 UMLSCUI
CHEMBL461343 ChEMBL_ID
DB13410 DRUGBANK_ID
C028782 MESH_SUPPLEMENTAL_RECORD_UI
9567831 PUBCHEM_CID
3615 INN_ID
P9HIK5V7WK UNII
CHEBI:135006 CHEBI
23256-40-8 SECONDARY_CAS_RN

Pharmaceutical products:

None