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

Stem definitionDrug idCAS RN
beta-adrenoreceptor antagonists 4467 86880-51-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • epanolol
  • ICI-141,292
  • Molecular weight: 369.42
  • Formula: C20H23N3O4
  • CLOGP: 1.04
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 4
  • TPSA: 114.61
  • ALOGS: -3.78
  • ROTB: 10

Drug dosage:

DoseUnitRoute
0.20 g O

ADMET properties:

PropertyValueReference
BA (Bioavailability) 8 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.446 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 10.940 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.592 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 3.899 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 57.480 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 72.080 % High 1
herg hERG pIC50 4.547 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 3.483 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 9.484 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 61.590 % High 1
kinase-safety-class ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 35
kinase-selectivity-class AXL,CDK9,GRK2,STK33 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.452 High 1
mh-clint Mouse hepatocyte intrinsic clearance 61.944 High 1
mppb Mouse plasma protein binding (% unbound) 55.960 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.089 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 66.970 % High 1
rh-clint Rat hepatocyte intrinsic clearance 46.666 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 89.510 % High 1
rppb Rat plasma protein binding (% unbound) 51.960 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 920.450 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
ATC C07AB10 CARDIOVASCULAR SYSTEM
BETA BLOCKING AGENTS
BETA BLOCKING AGENTS
Beta blocking agents, selective
MeSH PA D000319 Adrenergic beta-Antagonists
MeSH PA D000959 Antihypertensive Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D013566 Sympathomimetics
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018663 Adrenergic Agents
MeSH PA D018674 Adrenergic Antagonists
CHEBI has role CHEBI:35554 cardiovascular drug

Related Drugs by ATC class:

C07AB Beta blocking agents, selective 13 drugs
acebutololatenololbetaxololbevantololbisoprololceliprololesatenololesmolollandiololmetoprololnebivololpractolol show all 13 →

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 9.91 acidic
pKa2 13.35 acidic
pKa3 7.48 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D06646 KEGG_DRUG
CHEBI:4800 CHEBI
CHEMBL87697 ChEMBL_ID
C038616 MESH_SUPPLEMENTAL_RECORD_UI
5654 INN_ID
DB13757 DRUGBANK_ID
9KGC55KP6A UNII
008150 NDDF
C0116294 UMLSCUI
72014 PUBCHEM_CID

Pharmaceutical products:

None