Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0090)
Drug Name
Aminophylline
Synonyms
Aminodur; Aminophyllin; Cardiofilina; Cardiomin; Cardophylin; Cardophyllin; Cariomin; Diophllin; Diuxanthine; Ethophylline; Eurphyllin; Genophyllin; Grifomin; Inophylline; Linampheta; Lixaminol; Metaphyllin; Metaphylline; Methophylline; Minaphil; Miofilin; Neophyiline; Norofilina; Peterphyllin; Phylcardin; Phyllindon; Phyllocontin; Somophyllin; Stenovasan; Syntophyllin; Theodrox; Theolone; Theophyldine; Theophyllamine; Theophyllaminum; Theophylline ethylenediamine; Thephyldine; Truphylline; Variaphylline; Vasofilina; aminophylline; 317-34-0
Indication Asthma [ICD11: CA23] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 420.43 Topological Polar Surface Area 191
Heavy Atom Count 30 Rotatable Bond Count 1
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
9433
ChEBI ID
CHEBI:2659
CAS Number
317-34-0
TTD Drug ID
D03TYI
Formula
C16H24N10O4
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
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
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[3]
References
1 Aminophylline was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Lack of effect of olanzapine on the pharmacokinetics of a single aminophylline dose in healthy men. Pharmacotherapy. 1998 Nov-Dec;18(6):1237-48.
3 Theophylline metabolism in human liver microsomes: inhibition studies. J Pharmacol Exp Ther. 1996 Mar;276(3):912-7.

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