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

General Information of Drug (ID: DMKBJWP)

Drug Name

Caffeine Drug Info

Synonyms

CFF; Cafamil; Cafecon; Cafeina; Cafeine; Caffedrine; Caffein; Caffeina; Caffenium; Caffine; Cafipel; Coffein; Coffeine; Coffeinum; DHCplus; Dasin; Dexitac; Diurex; Durvitan; Enerjets; Ercatab; Guaranine; Hycomine; Kofein; Koffein; Mateina; Methyltheobromide; Methyltheobromine; Miudol; Nodaca; Organex; Percutafeine; Phensal; Stim; Teina; Thein; Theine; Tirend; Vivarin; Anacin Maximum Strength; Anhydrous caffeine; Caffedrine Caplets; Caffeina [Italian]; Caffeine Pure; Caffeine solution; Coffein [German]; Coffeinum N; Coffeinum Purrum; Component of Cafergot; DHC Plus; Dexitac Stay Alert Stimulant; Eldiatric C; GlaxoSmithKline Brand of Caffeine; Hycomine Compound; Keep Alert; Kofein [Czech]; Koffein [German]; Merck dura Brand of Caffeine; Methylxanthine theophylline; Midol Maximum Strength; Monomethyl derivative of Theophylline; Natural Caffeinum; Nix Nap; No Doz; Nodoz Maximum Strength Caplets; Passauer Brand of Caffeine; Percoffedrinol N; Pierre Fabre Brand of Caffeine; Quick Pep; Republic Drug Brand of Caffeine; Seid Brand of Caffeine; Theobromine Me; Theophylline Me; C 0750; Propoxyphene Compound 65; SK 65 Compound; TNP00310; Thompson Brand 1 of Caffeine; Thompson Brand 2 of Caffeine; Alert-pep; Anhydrous caffeine (JP15); Anhydrous caffeine (TN); Berlin-Chemie Brand of Caffeine; Bristol-Myers Squibb Brand of Caffeine; Cafcit (TN); Caffeine (USP); Caffeine (natural); Caffeine [BAN:JAN]; Caffeine, Monohydrate; Caffeine, anhydrous; Caffeine, synthetic; No-Doz; Pep-Back; Propoxyphene Compound-65; Quick-Pep; Refresh'n; SK-65 Compound; Tri-Aqua; Ultra Pep-Back; Wake-Up; CU-01000012617-3; P-A-C Analgesic Tablets; Theophylline, 7-methyl; Xanthine, 1,3,7-trimethyl; 1,3,7-Trimethyl-2,6-dioxopurine; 1,3,7-Trimethylpurine-2,6-dione; 1,3,7-Trimethylxanthine; 1-3-7-TRIMETHYLXANTHINE; 1-methyltheobromine; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 7-Methyltheophylline

Indication

Disease Entry	ICD 11	Status	REF
Allergic rhinitis	CA08.0	Approved	[1]
Back pain	ME84.Z	Approved	[1]
Cluster headache	8A81.0	Approved	[1]
Common cold	CA00	Approved	[1]
Dysmenorrhea	GA34.3	Approved	[1]
Headache	8A80-8A84	Approved	[1]
Migraine disorder		Approved	[1]
Orthostatic hypotension	BA21	Approved	[2]
Pain	MG30-MG3Z	Approved	[1]

Therapeutic Class

Antihypertensive Agents

Cross-matching ID

PubChem CID: 2519
ChEBI ID: CHEBI:27732
CAS Number: CAS 58-08-2
TTD Drug ID: DMKBJWP
VARIDT Drug ID: DR00593
INTEDE Drug ID: DR0257
ACDINA Drug ID: D00088

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Antagonist	[3]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Antagonist	[3]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Approved	[4]
Cytochrome P450 2E1 (CYP2E1)	DEVDYN7	CP2E1_HUMAN	Approved	[5]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Approved	[6]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Approved	[7]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Approved	[8]
Cytochrome P450 1B1 (CYP1B1)	DE9QHP6	CP1B1_HUMAN	Approved	[9]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Approved	[10]
RNA cytidine acetyltransferase (hALP)	DEZV4AP	NAT10_HUMAN	Approved	[11]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Adenosine A2a receptor (ADORA2A)	DTT	ADORA2A	5.075	5.752	5.928	6.324
Adenosine A1 receptor (ADORA1)	DTT	ADORA1	4.698	5.291	5.298	4.797
RNA cytidine acetyltransferase (hALP)	DME	NAT10	7.324	6.95	7.289	7.155
Cytochrome P450 2E1 (CYP2E1)	DME	CYP2E1	12.054	3.968	2.945	4.1
Cytochrome P450 2C8 (CYP2C8)	DME	CYP2C8	9.791	3.744	3.413	1.609
Cytochrome P450 1A2 (CYP1A2)	DME	CYP1A2	10.036	5.779	6.508	6.481
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	3.307	5.005	3.921	5.327
Cytochrome P450 1B1 (CYP1B1)	DME	CYP1B1	5.098	5.256	8.133	6.2
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	11.76	5.931	6.164	9.423
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	11.692	6.58	4.984	9.089

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Allergic rhinitis

ICD Disease Classification

CA08.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
RNA cytidine acetyltransferase (hALP)	DME	NAT10	1.35E-01	-1.66E-01	-5.82E-01
Cytochrome P450 2E1 (CYP2E1)	DME	CYP2E1	7.75E-01	-1.76E-01	-6.23E-01
Cytochrome P450 2C8 (CYP2C8)	DME	CYP2C8	9.78E-01	-3.38E-03	-5.71E-02
Cytochrome P450 1A2 (CYP1A2)	DME	CYP1A2	9.96E-01	-7.53E-02	-5.68E-01
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	7.95E-01	-7.47E-02	-2.45E-01
Cytochrome P450 1B1 (CYP1B1)	DME	CYP1B1	6.91E-03	2.71E-01	1.34E+00
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	9.09E-01	-9.26E-02	-3.68E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	9.85E-01	2.24E-02	7.33E-02

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	Caffeine FDA Label
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 407).
3	Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
4	Effect of cytochrome P450 (CYP) inducers on caffeine metabolism in the rat. Pharmacol Rep. 2007 May-Jun;59(3):296-305.
5	CYP2E1 active site residues in substrate recognition sequence 5 identified by photoaffinity labeling and homology modeling. Arch Biochem Biophys. 2007 Mar 1;459(1):59-69.
6	Determinants of interindividual variability and extent of CYP2D6 and CYP1A2 inhibition by paroxetine and fluvoxamine in vivo. J Clin Psychopharmacol. 1998 Jun;18(3):198-207.
7	Monkey liver cytochrome P450 2C9 is involved in caffeine 7-N-demethylation to form theophylline. Xenobiotica. 2013 Dec;43(12):1037-42.
8	Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
9	Oxidation of xenobiotics by recombinant human cytochrome P450 1B1. Drug Metab Dispos. 1997 May;25(5):617-22.
10	PharmGKB summary: caffeine pathway. Pharmacogenet Genomics. 2012 May;22(5):389-95.
11	A population and family study of N-acetyltransferase using caffeine urinary metabolites. Clin Pharmacol Ther. 1993 Aug;54(2):134-41.