bufylline Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 4426 5634-34-4

Description:

MoleculeDescription

Synonyms:

  • bufylline
  • ambuphylline
  • butaphyllamine
  • theophylline aminoisobutanol
  • Molecular weight: 269.31
  • Formula: C11H19N5O3
  • CLOGP:
  • LIPINSKI: None
  • HAC: None
  • HDO: None
  • TPSA: 69.30
  • ALOGS:
  • ROTB: None

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC R03DA10 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D001993 Bronchodilator Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D019141 Respiratory System Agents
MeSH PA D014665 Vasodilator Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

None

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
Adenosine receptor A2a GPCR ANTAGONIST Ki 9.22 CHEMBL CHEMBL
Phosphodiesterase 4 Enzyme INHIBITOR Ki 4.25 CHEMBL CHEMBL
Adenosine receptor A2b GPCR ANTAGONIST Ki 5.57 CHEMBL CHEMBL
Adenosine receptor A1 GPCR ANTAGONIST Ki 9.22 CHEMBL CHEMBL
Adenosine A2 receptor GPCR ANTAGONIST Ki 4.85 CHEMBL CHEMBL
Phosphodiesterase 3 Enzyme INHIBITOR CHEMBL CHEMBL
Alkaline phosphatase, tissue-nonspecific isozyme Enzyme Ki 4.09 CHEMBL
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Kinase IC50 4.12 CHEMBL
Adenosine receptor A3 GPCR ANTAGONIST Ki 7.85 CHEMBL
Adenosine A2a receptor Unclassified Ki 4.89 CHEMBL
Adenosine receptor A1 GPCR Ki 5.42 CHEMBL
Adenosine receptor A2a GPCR Ki 5.17 CHEMBL
Heart phosphodiesterase Enzyme IC50 4.04 CHEMBL
Adenosine A2b receptor GPCR Ki 4.82 CHEMBL
Adenosine receptor A1 GPCR Ki 6.15 CHEMBL
Adenosine receptor A3 GPCR Ki 4.07 CHEMBL
Adenosine A2 receptor GPCR Ki 5.88 CHEMBL
Uncharacterized protein Enzyme Ki 4.11 CHEMBL
Adenosine receptor A1 GPCR Ki 5.01 CHEMBL
Adenosine receptor GPCR Ki 4.70 CHEMBL

External reference:

IDSource
D02884 KEGG_DRUG
VOU5V0B772 UNII
DB13812 DRUGBANK_ID
CHEMBL2104089 ChEMBL_ID
21850 PUBCHEM_CID
C006485 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None