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
Orthostatic hypotension BA21 Approved [1] , [2]
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] , [4]
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Antagonist [3] , [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID Highest Status REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Approved [5]
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Approved [6]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Approved [7]
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Approved [8]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Approved [9]
Cytochrome P450 1B1 (CYP1B1) DE9QHP6 CP1B1_HUMAN Approved [10]
Cytochrome P450 2C8 (CYP2C8) DES5XRU CP2C8_HUMAN Approved [11]
RNA cytidine acetyltransferase (hALP) DEZV4AP NAT10_HUMAN Approved [12]

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 Orthostatic hypotension
ICD Disease Classification BA21
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

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2 Fatigue: an overview. Am Fam Physician. 2008 Nov 15;78(10):1173-9.
3 Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
4 Adenosine receptor antagonists intensify the benzodiazepine withdrawal signs in mice. Pharmacol Rep. 2006 Sep-Oct;58(5):643-51.
5 Effect of cytochrome P450 (CYP) inducers on caffeine metabolism in the rat. Pharmacol Rep. 2007 May-Jun;59(3):296-305.
6 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.
7 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.
8 Monkey liver cytochrome P450 2C9 is involved in caffeine 7-N-demethylation to form theophylline. Xenobiotica. 2013 Dec;43(12):1037-42.
9 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.
10 Oxidation of xenobiotics by recombinant human cytochrome P450 1B1. Drug Metab Dispos. 1997 May;25(5):617-22.
11 PharmGKB summary: caffeine pathway. Pharmacogenet Genomics. 2012 May;22(5):389-95.
12 A population and family study of N-acetyltransferase using caffeine urinary metabolites. Clin Pharmacol Ther. 1993 Aug;54(2):134-41.