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

Stem definitionDrug idCAS RN
beta-adrenoreceptor antagonists 3657 30187-90-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • xibenolol
  • Molecular weight: 251.37
  • Formula: C15H25NO2
  • CLOGP: 2.93
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 2
  • TPSA: 41.49
  • ALOGS: -2.74
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.900 Moderate 0.67
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.826 Moderate 0.67
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 23.014 10^-6 cm/s Moderate 0.67
dh-clint Dog hepatocyte intrinsic clearance 21.184 uL/min/10^6 cells Moderate 0.67
dppb Dog plasma protein binding (% unbound) 33.180 % Moderate 0.67
fcs-ppb Fetal calf serum protein binding (% unbound) 42.070 % Moderate 0.67
herg hERG pIC50 4.852 pIC50 Moderate 0.67
hh-clint Human hepatocyte intrinsic clearance 6.457 uL/min/10^6 cells Moderate 0.67
hlm-clint Human liver microsomal intrinsic clearance 5.236 uL/min/mg protein Moderate 0.67
hppb Human plasma protein binding (% unbound) 48.040 % Moderate 0.67
kinase-safety-class ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IKBKB,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 48
kinase-selectivity-class AXL,BRAF,CDK4,EPHB4,GRK2,PDK4,SIK2 7
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1 Moderate 0.67
mh-clint Mouse hepatocyte intrinsic clearance 125.026 Moderate 0.67
mppb Mouse plasma protein binding (% unbound) 42.570 Moderate 0.67
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.931 Moderate 0.67
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 48.160 % Moderate 0.67
rh-clint Rat hepatocyte intrinsic clearance 204.644 uL/min/10^6 cells Moderate 0.67
rh-fuinc Rat hepatocyte fraction unbound in incubation 74.780 % Moderate 0.67
rppb Rat plasma protein binding (% unbound) 41.510 % Moderate 0.67
solubility-dd Solubility at pH 7.4 in DMSO 920.450 uM Moderate 0.67

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:

None

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 9.31 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C0148979 UMLSCUI
CHEBI:135026 CHEBI
CHEMBL347795 ChEMBL_ID
C006027 MESH_SUPPLEMENTAL_RECORD_UI
146256 PUBCHEM_CID
5264 INN_ID
0871JY946G UNII

Pharmaceutical products:

None