choline theophyllinate Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
4390 4499-40-5

Description:

MoleculeDescription

Synonyms:

  • choline theophyllinate
  • cholinophylline
  • theophylline cholinate
  • oxtriphylline
  • Molecular weight: 283.33
  • Formula: C12H21N5O3
  • CLOGP:
  • LIPINSKI: None
  • HAC: None
  • HDO: None
  • TPSA: 66.40
  • ALOGS:
  • ROTB: None

Drug dosage:

DoseUnitRoute
0.60 g O
0.60 g R

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
Nov. 5, 1981 FDA WARNER CHILCOTT LLC

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC R03DA02 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DB02 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines and adrenergics

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
4018630 VUID
N0000179080 NUI
C0055578 UMLSCUI
3K045XR58X UNII
757 INN_ID
387489007 SNOMEDCT_US
4018630 VANDF
d00756 MMSL
5213 MMSL
20976 RXNORM
000610 NDDF
CHEMBL1200434 ChEMBL_ID
DB01303 DRUGBANK_ID
656652 PUBCHEM_CID

Pharmaceutical products:

None