Details of the Drug

General Information of Drug (ID: DML2NIB)

• Drug Name: Aminophylline
• Synonyms: Aminocardol; Aminodur; Aminofilina; Aminofillina; Aminophyllin; Ammophyllin; Cardiofilina; Cardiomin; Cardophylin; Cardophyllin; Carena; Cariomin; DOBO; Diaphilline; Diaphyllin; Diaphylline; Diophllin; Diophyllin; Diuxanthine; Ethophylline; Eufilina; Euphyllin; Euphylline; Euphyllinum; Eurphyllin; Euufilin; Euufillin; Genophyllin; Grifomin; Inophylline; Lasodex; Linampheta; Lixaminol; Metaphyllin; Metaphylline; Minaphil; Miofilin; Neophyiline; Norofilina; Peterphyllin; Phylcardin; Phyllindon; Phyllocontin; Phyllotemp; Somophyllin; Stenovasan; Syntophyllin; Theodrox; Theolamine; Theolone; Theomin; Theophyldine; Thephyldine; Truphylline; Vasofilina; A 1755; BY 108; Minomal(TN); Phyllocontin (TN); TH/100; Truphylline (TN)

Indication

Disease Entry	ICD 11	Status	REF
Bronchial asthma	CA23	Approved	[1]
Asthma	CA23	Phase 2	[2]

• Therapeutic Class: Bronchodilator Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 420.43
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 8
• ADMET Property:
  Half-life: The concentration or amount of drug in body reduced by one-half in 7 - 9 hours [3]
  Vd: The volume of distribution (Vd) of drug is 0.3-0.7 L/kg [4]
• Chemical Identifiers:
  Formula: C16H24N10O4
  IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine
  Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N
  InChI: InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
  InChIKey: FQPFAHBPWDRTLU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9433
  ChEBI ID: CHEBI:2659
  CAS Number: 317-34-0
  DrugBank ID: DB01223
  TTD ID: D03TYI
  INTEDE ID: DR0090

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 3A (PDE3A)	TT06AWU	PDE3A_HUMAN	Inhibitor	[5], [6]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2E1 (CYP2E1)	DEVDYN7	CP2E1_HUMAN	Substrate	[7]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[8]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 12 Disease of the respiratory system
• Disease Class: ICD-11: CA23 Asthma
• The Studied Tissue: Nasal and bronchial airway
• The Studied Disease: Asthma [ICD-11:CA23]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 3A (PDE3A)	DTT	PDE3A	8.06E-01	-0.04	-0.15
Cytochrome P450 2E1 (CYP2E1)	DME	CYP2E1	2.10E-04	1.44E-01	2.04E-01
Cytochrome P450 1A2 (CYP1A2)	DME	CYP1A2	7.57E-07	-1.95E-01	-4.24E-01

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Aminophylline (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Metreleptin	DM1NOEK	Moderate	Decreased metabolism of Aminophylline caused by Metreleptin mediated inhibition of CYP450 enzyme.	Acute diabete complication [5A2Y]	[37]
Emapalumab	DMZG5WL	Moderate	Altered metabolism of Aminophylline due to Emapalumab alters the formation of CYP450 enzymes.	Adaptive immunity immunodeficiency [4A01]	[38]
Siltuximab	DMGEATB	Moderate	Altered metabolism of Aminophylline due to Siltuximab alters the formation of CYP450 enzymes.	Anemia [3A00-3A9Z]	[38]
Obeticholic acid	DM3Q1SM	Moderate	Decreased metabolism of Aminophylline caused by Obeticholic acid mediated inhibition of CYP450 enzyme.	Autoimmune liver disease [DB96]	[39]
Troleandomycin	DMUZNIG	Moderate	Decreased metabolism of Aminophylline caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[40]
Tucatinib	DMBESUA	Moderate	Decreased metabolism of Aminophylline caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[41]
Levonorgestrel	DM1DP7T	Moderate	Decreased metabolism of Aminophylline caused by Levonorgestrel.	Contraceptive management [QA21]	[42]
Stiripentol	DMMSDOY	Moderate	Decreased metabolism of Aminophylline caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[43]
Fosphenytoin	DMOX3LB	Moderate	Increased metabolism of Aminophylline caused by Fosphenytoin mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[44]
Cannabidiol	DM0659E	Moderate	Increased metabolism of Aminophylline caused by Cannabidiol mediated induction of CYP450 enzyme.	Epileptic encephalopathy [8A62]	[45]
Febuxostat	DMDEXQ0	Moderate	Decreased metabolism of Aminophylline caused by Febuxostat mediated inhibition of non-CYP450 enzyme.	Inborn purine/pyrimidine/nucleotide metabolism error [5C55]	[46]
Amobarbital	DM0GQ8N	Moderate	Increased metabolism of Aminophylline caused by Amobarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[47]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of lowers seizure threshold by the combination of Aminophylline and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[48]
Blinatumomab	DMGECIJ	Moderate	Decreased metabolism of Aminophylline caused by Blinatumomab mediated inhibition of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[49]
Exjade	DMHPRWG	Major	Decreased metabolism of Aminophylline caused by Exjade mediated inhibition of CYP450 enzyme.	Mineral absorption/transport disorder [5C64]	[50]
Ustekinumab	DMHTYK3	Moderate	Altered metabolism of Aminophylline due to Ustekinumab alters the formation of CYP450 enzymes.	Psoriasis [EA90]	[38]
Ixekizumab	DMXW92T	Moderate	Altered metabolism of Aminophylline due to Ixekizumab alters the formation of CYP450 enzymes.	Psoriasis [EA90]	[38]
Tocilizumab	DM7J6OR	Moderate	Altered metabolism of Aminophylline due to Tocilizumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[38]
Canakinumab	DM8HLO5	Moderate	Altered metabolism of Aminophylline due to Canakinumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[38]
Rilonacept	DMGLUQS	Moderate	Altered metabolism of Aminophylline due to Rilonacept alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[38]
Golimumab	DMHZV7X	Moderate	Altered metabolism of Aminophylline due to Golimumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[38]
Sarilumab	DMOGNXY	Moderate	Altered metabolism of Aminophylline due to Sarilumab alters the formation of CYP450 enzymes.	Rheumatoid arthritis [FA20]	[38]
Voxelotor	DMCS6M5	Moderate	Decreased metabolism of Aminophylline caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[51]

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