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

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 3190 314-35-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • millophylline
  • etamiphylline camsilate
  • ethamicyclin
  • etamiphylline camsylate
  • etamiphylline camphorsulfonate
  • camphophylline
  • etamiphylline hydrochloride
  • etamiphylline HCl
  • etamiphyllin monohydrochloride
  • etamiphyllin
  • etamiphylline
  • etaminophylline
  • Molecular weight: 279.34
  • Formula: C13H21N5O2
  • CLOGP: 1.14
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 0
  • TPSA: 61.68
  • ALOGS: -1.59
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.066 High 0.83
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.023 High 0.83
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 20.184 10^-6 cm/s High 0.83
dh-clint Dog hepatocyte intrinsic clearance 3.041 uL/min/10^6 cells High 0.83
dppb Dog plasma protein binding (% unbound) 92.300 % High 0.83
fcs-ppb Fetal calf serum protein binding (% unbound) 91.730 % High 0.83
herg hERG pIC50 4.194 pIC50 High 0.83
hh-clint Human hepatocyte intrinsic clearance 1.033 uL/min/10^6 cells High 0.83
hlm-clint Human liver microsomal intrinsic clearance 2.972 uL/min/mg protein High 0.83
hppb Human plasma protein binding (% unbound) 85.790 % High 0.83
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK2,PIK3CD,PRKDC,SIK2,STK33,TEK 24
kinase-selectivity-class GRK2,MAPK7,PRKDC,TEK 4
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.675 High 0.83
mh-clint Mouse hepatocyte intrinsic clearance 14.322 High 0.83
mppb Mouse plasma protein binding (% unbound) 92.640 High 0.83
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 5.200 High 0.83
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 93.740 % High 0.83
rh-clint Rat hepatocyte intrinsic clearance 10.447 uL/min/10^6 cells High 0.83
rh-fuinc Rat hepatocyte fraction unbound in incubation 93.910 % High 0.83
rppb Rat plasma protein binding (% unbound) 87.750 % High 0.83
solubility-dd Solubility at pH 7.4 in DMSO 905.733 uM High 0.83

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 R03DA06 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DB06 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines and adrenergics
MeSH PA D001993 Bronchodilator Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D019141 Respiratory System Agents

Related Drugs by ATC class:

R03DA Xanthines 9 drugs
acefyllinebamifyllinebufyllinecholine theophyllinatediprophyllinedoxofyllineproxyphyllinetheobrominetheophylline
R03DB Xanthines and adrenergics 4 drugs
choline theophyllinatediprophyllineproxyphyllinetheophylline

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 7.14 Basic
pKa2 2.83 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07378 KEGG_DRUG
CHEBI:135157 CHEBI
CHEMBL2104264 ChEMBL_ID
C007635 MESH_SUPPLEMENTAL_RECORD_UI
DB13592 DRUGBANK_ID
C0059680 UMLSCUI
568 INN_ID
28329 PUBCHEM_CID
221A91BQ2S UNII

Pharmaceutical products:

None