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

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 287 2016-63-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bamifylline
  • bamiphylline
  • benzetamophylline
  • benzethamophylline
  • Molecular weight: 385.47
  • Formula: C20H27N5O3
  • CLOGP: 2.03
  • LIPINSKI: 0
  • HAC: 8
  • HDO: 1
  • TPSA: 81.91
  • ALOGS: -2.33
  • ROTB: 8

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.305 Moderate 0.69
caco2-efflux Caco-2 efflux ratio (BA/AB) 5.200 Moderate 0.69
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 18.408 10^-6 cm/s Moderate 0.69
dh-clint Dog hepatocyte intrinsic clearance 7.943 uL/min/10^6 cells Moderate 0.69
dppb Dog plasma protein binding (% unbound) 59.720 % Moderate 0.69
fcs-ppb Fetal calf serum protein binding (% unbound) 62.450 % Moderate 0.69
herg hERG pIC50 4.646 pIC50 Moderate 0.69
hh-clint Human hepatocyte intrinsic clearance 2.056 uL/min/10^6 cells Moderate 0.69
hlm-clint Human liver microsomal intrinsic clearance 27.606 uL/min/mg protein Moderate 0.69
hppb Human plasma protein binding (% unbound) 44.210 % Moderate 0.69
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP3K21,MAP3K7,MAPK7,MET,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PRKDC,SIK2,SIK3,STK33,TEK 32
kinase-selectivity-class AXL,GRK2 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 7.278 Moderate 0.69
mh-clint Mouse hepatocyte intrinsic clearance 39.902 Moderate 0.69
mppb Mouse plasma protein binding (% unbound) 57.930 Moderate 0.69
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 19.454 Moderate 0.69
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 73.320 % Moderate 0.69
rh-clint Rat hepatocyte intrinsic clearance 36.141 uL/min/10^6 cells Moderate 0.69
rh-fuinc Rat hepatocyte fraction unbound in incubation 88.110 % Moderate 0.69
rppb Rat plasma protein binding (% unbound) 51.900 % Moderate 0.69
solubility-dd Solubility at pH 7.4 in DMSO 957.194 uM Moderate 0.69

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 R03DA08 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
MeSH PA D000700 Analgesics
MeSH PA D001993 Bronchodilator Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D002491 Central Nervous System Agents
MeSH PA D014665 Vasodilator Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018689 Sensory System Agents
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D019141 Respiratory System Agents

Related Drugs by ATC class:

R03DA Xanthines 9 drugs
acefyllinebufyllinecholine theophyllinatediprophyllinedoxofyllineetamiphyllineproxyphyllinetheobrominetheophylline

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 6.41 Basic
pKa2 3.05 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07491 KEGG_DRUG
18752 RXNORM
C0052945 UMLSCUI
CHEBI:135605 CHEBI
CHEMBL2110760 ChEMBL_ID
DB13203 DRUGBANK_ID
C006683 MESH_SUPPLEMENTAL_RECORD_UI
16229 PUBCHEM_CID
1837 INN_ID
ZTY15D026H UNII
005237 NDDF
ZTY15D026H INXIGHT DRUGS

Pharmaceutical products:

None