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

Stem definitionDrug idCAS RN
aromatic ring -CH(-OH)-CH2-NH-R 2289 54-80-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • pronethalol
  • (+/-)-Pronethalol
  • naphthylisoproterenol
  • nethalide
  • pronetalol
  • DL-Pronethalol
  • pronethalol hydrochloride
  • pronethalol HCl
  • Molecular weight: 229.32
  • Formula: C15H19NO
  • CLOGP: 2.59
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 2
  • TPSA: 32.26
  • ALOGS: -3.35
  • ROTB: 4

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.915 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.281 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 38.548 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 33.113 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 37.870 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 52.820 % High 1
herg hERG pIC50 4.918 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 8.511 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 11.508 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 53.450 % 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,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,SYK,TEK,TGFBR1 36
kinase-selectivity-class AXL,CDK4,EIF2AK3,PDK4 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.863 High 1
mh-clint Mouse hepatocyte intrinsic clearance 150.314 High 1
mppb Mouse plasma protein binding (% unbound) 48.730 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.334 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 52.010 % High 1
rh-clint Rat hepatocyte intrinsic clearance 240.991 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 77.090 % High 1
rppb Rat plasma protein binding (% unbound) 50.460 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 974.990 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:

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 9.23 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-2 adrenergic receptor GPCR Kd 6.80 CHEMBL

External reference:

IDSource
C0033424 UMLSCUI
CHEBI:8463 CHEBI
CHEMBL16476 ChEMBL_ID
C084832 MESH_SUPPLEMENTAL_RECORD_UI
1580 INN_ID
51-02-5 SECONDARY_CAS_RN
XBP4RT1IMQ UNII
4930 PUBCHEM_CID
001851 NDDF

Pharmaceutical products:

None