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
MeSH PA D000963 Antimetabolites
MeSH PA D002491 Central Nervous System Agents
MeSH PA D005765 Gastrointestinal Agents
MeSH PA D000960 Hypolipidemic Agents
MeSH PA D057847 Lipid Regulating Agents
MeSH PA D008082 Lipotropic Agents
MeSH PA D018697 Nootropic Agents
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D001993 Bronchodilator Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D010726 Phosphodiesterase Inhibitors
MeSH PA D058914 Purinergic Antagonists
MeSH PA D058915 Purinergic P1 Receptor Antagonists
MeSH PA D019141 Respiratory System Agents
MeSH PA D014665 Vasodilator Agents
CHEBI has role CHEBI:25512 neurotransmitters
CHEBI has role CHEBI:33284 nutrients
CHEBI has role CHEBI:50904 allergene
CHEBI has role CHEBI:75771 Mus musculus metabolite
CHEBI has role CHEBI:75772 bakers yeast metabolite
CHEBI has role CHEBI:76924 plant metabolites
CHEBI has role CHEBI:76971 E.coli metabolites
CHEBI has role CHEBI:77746 H. sapiens metabolites
CHEBI has role CHEBI:83056 Daphnia magna metabolites
CHEBI has role CHEBI:35523 bronchodilator agents
CHEBI has role CHEBI:35620 vasodilator
CHEBI has role CHEBI:49103 drug metabolites
CHEBI has role CHEBI:49167 anti-asthmatic agents
CHEBI has role CHEBI:50218 phosphodiesterase inhibitors
CHEBI has role CHEBI:50846 Biomodulator
CHEBI has role CHEBI:51371 muscle relaxants
CHEBI has role CHEBI:67079 antiinflammatory agents
CHEBI has role CHEBI:71232 adenosine receptor antagonists
CHEBI has role CHEBI:76946 fungal metabolites
CHEBI has role CHEBI:85234 human blood serum metabolites

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
Phosphodiesterase 4 Enzyme INHIBITOR Ki 4.25 CHEMBL CHEMBL
Adenosine receptor A1 GPCR ANTAGONIST Ki 9.22 CHEMBL CHEMBL
Adenosine receptor A2b GPCR ANTAGONIST Ki 5.57 CHEMBL CHEMBL
Adenosine A2 receptor GPCR ANTAGONIST Ki 4.85 CHEMBL CHEMBL
Phosphodiesterase 3 Enzyme INHIBITOR CHEMBL CHEMBL
Adenosine receptor A2a GPCR ANTAGONIST Ki 9.22 CHEMBL CHEMBL
Adenosine receptor A3 GPCR ANTAGONIST Ki 7.85 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
Uncharacterized protein Enzyme Ki 4.11 CHEMBL
Adenosine receptor A3 GPCR Ki 4.07 CHEMBL
Adenosine receptor A1 GPCR Ki 5.42 CHEMBL
Adenosine receptor A1 GPCR Ki 5.01 CHEMBL
Adenosine A2 receptor GPCR Ki 5.88 CHEMBL
Adenosine A2b receptor GPCR Ki 4.82 CHEMBL
Adenosine receptor GPCR Ki 4.70 CHEMBL
Heart phosphodiesterase Enzyme IC50 4.04 CHEMBL
Adenosine A2a receptor GPCR Ki 4.89 CHEMBL
Adenosine receptor A1 GPCR Ki 6.15 CHEMBL
Adenosine receptor A2a GPCR Ki 5.17 CHEMBL

External reference:

IDSource
4018630 VUID
N0000179080 NUI
4017699 VANDF
4018129 VANDF
4018630 VANDF
C0055578 UMLSCUI
CHEBI:15354 CHEBI
CHEBI:28177 CHEBI
TEP PDB_CHEM_ID
CHEMBL1200434 ChEMBL_ID
DB01303 DRUGBANK_ID
757 INN_ID
3K045XR58X UNII
656652 PUBCHEM_CID
305 PUBCHEM_CID
2153 PUBCHEM_CID
DB00122 DRUGBANK_ID
DB00277 DRUGBANK_ID
10438 RXNORM
2086 MMSL
4173 MMSL
4436 MMSL
4875 MMSL
5213 MMSL
5563 MMSL
d00142 MMSL
d00756 MMSL
d03159 MMSL
000602 NDDF
000610 NDDF
002058 NDDF
111156002 SNOMEDCT_US
372810006 SNOMEDCT_US
387489007 SNOMEDCT_US
65123005 SNOMEDCT_US
66493003 SNOMEDCT_US
D002794 MESH_DESCRIPTOR_UI
D013806 MESH_DESCRIPTOR_UI
C0008405 UMLSCUI
C0039771 UMLSCUI

Pharmaceutical products:

None