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

Stem definitionDrug idCAS RN
beta-adrenoreceptor antagonists 137 13655-52-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • alprenolol
  • alpheprol
  • dl-Alprenolol
  • (RS)-Alprenolol
  • (+/-)-Alprenolol
  • alprenoxime hydrochloride
  • alprenolol hydrochloride
  • alprenoxime HCl
  • alprenolol HCl
One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.
  • Molecular weight: 249.35
  • Formula: C15H23NO2
  • CLOGP: 2.65
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 2
  • TPSA: 41.49
  • ALOGS: -3.12
  • ROTB: 8

Drug dosage:

DoseUnitRoute
0.40 g O
0.40 g P

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 50 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 0.50 % Benet LZ, Broccatelli F, Oprea TI
BA (Bioavailability) 8 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 3.20 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 15 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.18 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 2.50 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.018 Moderate 0.73
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.561 Moderate 0.73
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 37.325 10^-6 cm/s Moderate 0.73
dh-clint Dog hepatocyte intrinsic clearance 106.660 uL/min/10^6 cells Moderate 0.73
dppb Dog plasma protein binding (% unbound) 31.370 % Moderate 0.73
fcs-ppb Fetal calf serum protein binding (% unbound) 48.270 % Moderate 0.73
herg hERG pIC50 5.063 pIC50 Moderate 0.73
hh-clint Human hepatocyte intrinsic clearance 21.478 uL/min/10^6 cells Moderate 0.73
hlm-clint Human liver microsomal intrinsic clearance 31.769 uL/min/mg protein Moderate 0.73
hppb Human plasma protein binding (% unbound) 47.990 % Moderate 0.73
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IKBKB,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MET,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 38
kinase-selectivity-class AXL,CDK4,PDK4 3
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.740 High 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.600 Moderate 0.73
mh-clint Mouse hepatocyte intrinsic clearance 341.979 Moderate 0.73
mppb Mouse plasma protein binding (% unbound) 45.410 Moderate 0.73
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.449 Moderate 0.73
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 52.190 % Moderate 0.73
rat-kpuu-brain Rat brain Kpuu 0.336 % High 1
rh-clint Rat hepatocyte intrinsic clearance 359.749 uL/min/10^6 cells Moderate 0.73
rh-fuinc Rat hepatocyte fraction unbound in incubation 74.820 % Moderate 0.73
rppb Rat plasma protein binding (% unbound) 46.380 % Moderate 0.73
solubility-dd Solubility at pH 7.4 in DMSO 944.061 uM Moderate 0.73

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1966 YEAR INTRODUCED

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 C07AA01 CARDIOVASCULAR SYSTEM
BETA BLOCKING AGENTS
BETA BLOCKING AGENTS
Beta blocking agents, non-selective
MeSH PA D000319 Adrenergic beta-Antagonists
MeSH PA D000889 Anti-Arrhythmia Agents
MeSH PA D000959 Antihypertensive Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D013565 Sympatholytics
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018663 Adrenergic Agents
MeSH PA D018674 Adrenergic Antagonists
CHEBI has role CHEBI:35530 β-adrenergic antagonist
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35674 antihypertensive agent
CHEBI has role CHEBI:38070 anti-arrhythmia drug
CHEBI has role CHEBI:66991 sympatholytic agent

Related Drugs by ATC class:

C07AA Beta blocking agents, non-selective 13 drugs
bopindololbupranololcarteololcloranololmepindololnadololoxprenololpenbutololpindololpropranololsotaloltertatolol 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 9.19 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
Beta-1 adrenergic receptor GPCR ANTAGONIST Kd 9.68 SCIENTIFIC LITERATURE KEGG DRUG
Beta-2 adrenergic receptor GPCR ANTAGONIST Kd 9.66 SCIENTIFIC LITERATURE IUPHAR
Beta-3 adrenergic receptor GPCR Kd 6.86 CHEMBL
5-hydroxytryptamine receptor 1A GPCR Ki 7.67 CHEMBL
5-hydroxytryptamine receptor 2A GPCR Ki 5.29 PDSP
5-hydroxytryptamine receptor 1A GPCR Ki 6.93 CHEMBL
Beta-2 adrenergic receptor GPCR IC50 8.53 CHEMBL
Squalene synthase Enzyme IC50 5.38 CHEMBL

External reference:

IDSource
N0000166828 NUI
D01182 KEGG_DRUG
597 RXNORM
C0002334 UMLSCUI
CHEBI:51211 CHEBI
CHEMBL266195 ChEMBL_ID
DB00866 DRUGBANK_ID
CHEMBL2448147 ChEMBL_ID
D000526 MESH_DESCRIPTOR_UI
2119 PUBCHEM_CID
563 IUPHAR_LIGAND_ID
2461 INN_ID
121009-30-1 SECONDARY_CAS_RN
13707-88-5 SECONDARY_CAS_RN
877K5MQ27W UNII
CHEMBL1256179 ChEMBL_ID
005225 NDDF
006317 NDDF
96294004 SNOMEDCT_US
877K5MQ27W INXIGHT DRUGS

Pharmaceutical products:

None