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
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 283.33
  Topological Polar Surface Area; 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 [3]
  Vd: The volume of distribution (Vd) of drug is 0.3-0.7 L/kg [4]
• 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
  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	[5]
Phosphodiesterase 4 (PDE4)	TTV5CGO	NOUNIPROTAC	Modulator	[5]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A2 (CYP1A2) Main DME	DEJGDUW	CP1A2_HUMAN	Substrate	[6]

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]	[32]
Emapalumab	DMZG5WL	Moderate	Altered metabolism of Oxtriphylline due to Emapalumab alters the formation of CYP450 enzymes.	Adaptive immunity immunodeficiency [4A01]	[33]
Siltuximab	DMGEATB	Moderate	Altered metabolism of Oxtriphylline due to Siltuximab alters the formation of CYP450 enzymes.	Anemia [3A00-3A9Z]	[33]
Obeticholic acid	DM3Q1SM	Moderate	Decreased metabolism of Oxtriphylline caused by Obeticholic acid mediated inhibition of CYP450 enzyme.	Autoimmune liver disease [DB96]	[34]
Drospirenone	DM1A9W3	Moderate	Decreased metabolism of Oxtriphylline caused by Drospirenone.	Contraceptive management [QA21]	[35]
Stiripentol	DMMSDOY	Moderate	Decreased metabolism of Oxtriphylline caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[36]
Fosphenytoin	DMOX3LB	Moderate	Increased metabolism of Oxtriphylline caused by Fosphenytoin mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[37]
Cannabidiol	DM0659E	Moderate	Increased metabolism of Oxtriphylline caused by Cannabidiol mediated induction of CYP450 enzyme.	Epileptic encephalopathy [8A62]	[38]
Febuxostat	DMDEXQ0	Moderate	Decreased metabolism of Oxtriphylline caused by Febuxostat mediated inhibition of non-CYP450 enzyme.	Inborn purine/pyrimidine/nucleotide metabolism error [5C55]	[39]
Amobarbital	DM0GQ8N	Moderate	Increased metabolism of Oxtriphylline caused by Amobarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[40]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of lowers seizure threshold by the combination of Oxtriphylline and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[41]
Blinatumomab	DMGECIJ	Moderate	Decreased metabolism of Oxtriphylline caused by Blinatumomab mediated inhibition of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[42]
Exjade	DMHPRWG	Major	Decreased metabolism of Oxtriphylline caused by Exjade mediated inhibition of CYP450 enzyme.	Mineral absorption/transport disorder [5C64]	[43]
Ustekinumab	DMHTYK3	Moderate	Altered metabolism of Oxtriphylline due to Ustekinumab alters the formation of CYP450 enzymes.	Psoriasis [EA90]	[44]
Ixekizumab	DMXW92T	Moderate	Altered metabolism of Oxtriphylline due to Ixekizumab alters the formation of CYP450 enzymes.	Psoriasis [EA90]	[44]
Tocilizumab	DM7J6OR	Moderate	Altered metabolism of Oxtriphylline due to Tocilizumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[44]
Canakinumab	DM8HLO5	Moderate	Altered metabolism of Oxtriphylline due to Canakinumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[44]
Rilonacept	DMGLUQS	Moderate	Altered metabolism of Oxtriphylline due to Rilonacept alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[44]
Golimumab	DMHZV7X	Moderate	Altered metabolism of Oxtriphylline due to Golimumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[44]
Sarilumab	DMOGNXY	Moderate	Altered metabolism of Oxtriphylline due to Sarilumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[44]

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