Details of the Drug

General Information of Drug (ID: DMLHSE3)

Drug Name
Oxtriphylline
Synonyms
Choledyl; Cholegyl; Cholinophyllin; Cholinophylline; Filoral; Oxtrimethylline; Sabidal; Soliphylline; Teofilcolina; Teokolin; Theoxylline; Choline theophylline salt; Cholini theophyllinas; Colina teofillinato; Colina teofillinato [DCIT]; Oxtriphylline [USAN]; Oxtriphylline pediatric; Teofilinato de colina; Theophyllinate de choline; Theophylline cholinate; Theophylline salt of choline; Choledyl SA 400; Zy 15061; Choledyl (TN); Cholini theophyllinas [INN-Latin]; Teofilinato de colina [INN-Spanish]; Theophyllinate de choline[INN-French]; Choline salt with theophylline (1:1); Theophylline, compd. with choline; Choline, compd. with theophylline (1:1); Choline, hydroxide, compd. with theophylline (1:1); Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,7-dihydro-1,3-dimethylpurine-2,6-dione; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1); (2-Hydroxyethyl)trimethylammonium compound with theophylline; 1,3-dimethyl-7H-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, ion(1-), 2-hydroxy-N,N,N-trimethylethanaminium
Indication
Disease Entry ICD 11 Status REF
Cough MD12 Approved [1]
Therapeutic Class
Bronchodilator Agents
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 283.33
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 3 - 12.8 hours [2]
Metabolism
The drug is metabolized via the hepatic []
Vd
The volume of distribution (Vd) of drug is 0.3-0.7 L/kg []
Chemical Identifiers
Formula
C12H21N5O3
IUPAC Name
1,3-dimethyl-2-oxopurin-6-olate;2-hydroxyethyl(trimethyl)azanium
Canonical SMILES
CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO
InChI
InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1
InChIKey
SOELXOBIIIBLRJ-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
656652
CAS Number
4499-40-5
UNII
3K045XR58X
DrugBank ID
DB01303
TTD ID
D0B0SH
INTEDE ID
DR1217

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 3 (PDE3) TTZCG4L NOUNIPROTAC Modulator [3]
Phosphodiesterase 4 (PDE4) TTV5CGO NOUNIPROTAC Modulator [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 1A2 (CYP1A2)
Main DME 		DEJGDUW CP1A2_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Oxtriphylline (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Metreleptin DM1NOEK Moderate Decreased metabolism of Oxtriphylline caused by Metreleptin mediated inhibition of CYP450 enzyme. Acute diabete complication [5A2Y] [5]
Emapalumab DMZG5WL Moderate Altered metabolism of Oxtriphylline due to Emapalumab alters the formation of CYP450 enzymes. Adaptive immunity immunodeficiency [4A01] [6]
Siltuximab DMGEATB Moderate Altered metabolism of Oxtriphylline due to Siltuximab alters the formation of CYP450 enzymes. Anemia [3A00-3A9Z] [6]
Obeticholic acid DM3Q1SM Moderate Decreased metabolism of Oxtriphylline caused by Obeticholic acid mediated inhibition of CYP450 enzyme. Autoimmune liver disease [DB96] [7]
Drospirenone DM1A9W3 Moderate Decreased metabolism of Oxtriphylline caused by Drospirenone. Contraceptive management [QA21] [8]
Stiripentol DMMSDOY Moderate Decreased metabolism of Oxtriphylline caused by Stiripentol mediated inhibition of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [9]
Fosphenytoin DMOX3LB Moderate Increased metabolism of Oxtriphylline caused by Fosphenytoin mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [10]
Cannabidiol DM0659E Moderate Increased metabolism of Oxtriphylline caused by Cannabidiol mediated induction of CYP450 enzyme. Epileptic encephalopathy [8A62] [11]
Febuxostat DMDEXQ0 Moderate Decreased metabolism of Oxtriphylline caused by Febuxostat mediated inhibition of non-CYP450 enzyme. Inborn purine/pyrimidine/nucleotide metabolism error [5C55] [12]
Amobarbital DM0GQ8N Moderate Increased metabolism of Oxtriphylline caused by Amobarbital mediated induction of CYP450 enzyme. Insomnia [7A00-7A0Z] [13]
Polyethylene glycol DM4I1JP Moderate Increased risk of lowers seizure threshold by the combination of Oxtriphylline and Polyethylene glycol. Irritable bowel syndrome [DD91] [14]
Blinatumomab DMGECIJ Moderate Decreased metabolism of Oxtriphylline caused by Blinatumomab mediated inhibition of CYP450 enzyme. Mature B-cell lymphoma [2A85] [15]
Exjade DMHPRWG Major Decreased metabolism of Oxtriphylline caused by Exjade mediated inhibition of CYP450 enzyme. Mineral absorption/transport disorder [5C64] [16]
Ustekinumab DMHTYK3 Moderate Altered metabolism of Oxtriphylline due to Ustekinumab alters the formation of CYP450 enzymes. Psoriasis [EA90] [17]
Ixekizumab DMXW92T Moderate Altered metabolism of Oxtriphylline due to Ixekizumab alters the formation of CYP450 enzymes. Psoriasis [EA90] [17]
Tocilizumab DM7J6OR Moderate Altered metabolism of Oxtriphylline due to Tocilizumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [17]
Canakinumab DM8HLO5 Moderate Altered metabolism of Oxtriphylline due to Canakinumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [17]
Rilonacept DMGLUQS Moderate Altered metabolism of Oxtriphylline due to Rilonacept alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [17]
Golimumab DMHZV7X Moderate Altered metabolism of Oxtriphylline due to Golimumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [17]
Sarilumab DMOGNXY Moderate Altered metabolism of Oxtriphylline due to Sarilumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [17]
⏷ Show the Full List of 20 DDI Information of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 086742.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
4 PharmGKB summary: very important pharmacogene information for CYP1A2. Pharmacogenet Genomics. 2012 Jan;22(1):73-7.
5 Product Information. Myalept (metreleptin). Bristol-Myers Squibb, Princeton, NJ.
6 Product Information. Cosentyx (secukinumab). Novartis Pharmaceuticals, East Hanover, NJ.
7 Product Information. Ocaliva (obeticholic acid). Intercept Pharmaceuticals, Inc., New York, NY.
8 Gardner MJ, Tornatore KM, Jusko WJ, Kanarkowski R "Effects of tobacco smoking and oral contraceptive use on theophylline disposition." Br J Clin Pharmacol 16 (1983): 271-80. [PMID: 6626419]
9 EMEA. European Medicines Agency "EPARs. European Union Public Assessment Reports.".
10 Crowley JJ, Cusack BJ, Jue SG, et al "Cigarette smoking and theophylline metabolism: effects of phenytoin." Clin Pharmacol Ther 42 (1987): 334-40. [PMID: 3621789]
11 Cerner Multum, Inc. "Australian Product Information.".
12 Product Information. Uloric (febuxostat). Takeda Pharmaceuticals America, Lincolnshire, IL.
13 Bukowskyj M, Nakatsu K, Munt PW "Theophylline reassessed." Ann Intern Med 101 (1984): 63-73. [PMID: 6145380]
14 Product Information. Suprep Bowel Prep Kit (magnesium/potassium/sodium sulfates). Braintree Laboratories, Braintree, MA.
15 Product Information. Blincyto (blinatumomab). Amgen USA, Thousand Oaks, CA.
16 Product Information. Exjade (deferasirox). Novartis Pharmaceuticals, East Hanover, NJ.
17 Cerner Multum, Inc. "UK Summary of Product Characteristics.".