Details of the Drug-Related molecule(s) Interaction Atlas

NSC-6113 Drug Info

Theophylline, 8-chloro-; 1,3-Dimethyl-8-chloroxanthine; 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-; 8-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; 8-Chloro-theophylline; 8-Chlorotheophylline; 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 85-18-7; C7H7ClN4O2; CHEBI:59771; CHEMBL88611; EINECS 201-590-4; MFCD00005581; GE2UA340FM; RYIGNEOBDRVTHA-UHFFFAOYSA-N; UNII-GE2UA340FM

Cross-matching ID

PubChem CID

10661

ChEBI ID

CHEBI:59771

CAS Number

CAS 85-18-7

TTD Drug ID

DMX2YH7

INTEDE Drug ID

DR0025

General Information of Drug (ID: DMX2YH7)

Molecule-Related Drug Atlas

Molecule Type:

DME

Drug Status:

Approved Drug(s)

Download the Complete Related Drug List

Drug(s) Metabolized By Cytochrome P450 1A2 (CYP1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[2]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[3]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[4]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[5]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[6]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[7]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[8]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[9]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[10]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[11]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug-Metabolizing Enzyme (DME)

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

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References

1	Coleman J., Cox A. and Cowley N. (2011). Side Effects of Drugs Annual. Elsevier.
2	Roles of cytochromes P450 1A2, 2A6, and 2C8 in 5-fluorouracil formation from tegafur, an anticancer prodrug, in human liver microsomes. Drug Metab Dispos. 2000 Dec;28(12):1457-63.
3	Effects of polyunsaturated fatty acids on prostaglandin synthesis and cyclooxygenase-mediated DNA adduct formation by heterocyclic aromatic amines in human adenocarcinoma colon cells. Mol Carcinog. 2004 Jul;40(3):180-8.
4	Endoxifen and other metabolites of tamoxifen inhibit human hydroxysteroid sulfotransferase 2A1 (hSULT2A1). Drug Metab Dispos. 2014 Nov;42(11):1843-50.
5	Cytochrome P450 1A2 (CYP1A2) activity and risk factors for breast cancer: a cross-sectional study. Breast Cancer Res. 2004;6(4):R352-65.
6	PharmGKB summary: pathways of acetaminophen metabolism at the therapeutic versus toxic doses. Pharmacogenet Genomics. 2015 Aug;25(8):416-26.
7	The effect of apigenin on pharmacokinetics of imatinib and its metabolite N-desmethyl imatinib in rats. Biomed Res Int. 2013;2013:789184.
8	Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
9	The influence of metabolic gene polymorphisms on urinary 1-hydroxypyrene concentrations in Chinese coke oven workers. Sci Total Environ. 2007 Aug 1;381(1-3):38-46.
10	Identification of P450 enzymes involved in metabolism of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1993 Sep;348(3):332-7.
11	Metabolism and metabolic inhibition of xanthotoxol in human liver microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509.