KEGG   DRUG: Caffeine citrate
Entry
D07603                      Drug                                   
Name
Caffeine citrate (USP);
Cafcit (TN)
Product
  Generic
Formula
C8H10N4O2. C6H8O7
Exact mass
386.1074
Mol weight
386.3141
Structure
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01612  Xanthine-type central nervous system stimulant
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG02855  CYP2E1 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: D11AX26 N06BC01
Chemical structure group: DG00974
Product (DG00974): D00528<JP> D01453<JP> D07603<US>
Efficacy
Stimulant (central), Analeptic, Adenosine receptor antagonist, Phosphodiesterase inhibitor
Comment
Xanthine derivative
Target
ADORA1 [HSA:134] [KO:K04265]
ADORA2A [HSA:135] [KO:K04266]
PDE [HSA:5153 5138 5139 5140 5141 5142 5143 5144 8654] [KO:K13755 K18283 K19021 K13296 K13293 K13762]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP1A2 [HSA:1544]; CYP3A4 [HSA:1576], CYP2E1 [HSA:1571]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AX Other dermatologicals
     D11AX26 Caffeine
      D07603  Caffeine citrate (USP) <US>
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BC Xanthine derivatives
     N06BC01 Caffeine
      D07603  Caffeine citrate (USP) <US>
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  05 Alertness drug
   D07603  Caffeine citrate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Anhydrous caffeine
    D07603  Caffeine citrate (USP)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01612  Xanthine-type central nervous system stimulant
    DG00974  Caffeine
     D07603  Caffeine citrate
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00974  Caffeine
    D07603  Caffeine citrate
  DG02855  CYP2E1 substrate
   DG00974  Caffeine
    D07603  Caffeine citrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00974  Caffeine
     D07603  Caffeine citrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D07603  Caffeine citrate (USP) <US>
    ADORA2A
     D07603  Caffeine citrate (USP) <US>
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D07603  Caffeine citrate (USP) <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07603
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07603
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01612  Xanthine-type central nervous system stimulant
    DG00974  Caffeine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00974  Caffeine
  DG02855  CYP2E1 substrate
   DG00974  Caffeine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00974  Caffeine
Other DBs
CAS: 69-22-7
PubChem: 51091913
LigandBox: D07603
NIKKAJI: J535.358K
LinkDB
KCF data

ATOM        27
            1   C8y C    16.7313   -7.4914
            2   C8y C    16.7313   -8.9615
            3   C8y C    17.9214   -6.7913
            4   N4y N    15.4712   -7.0713
            5   N4y N    17.9214   -9.5915
            6   N5x N    15.4712   -9.3815
            7   N4y N    19.1815   -7.5614
            8   O5x O    17.9214   -5.4612
            9   C8x C    14.6311   -8.2614
            10  C1a C    14.9811   -5.7412
            11  C8y C    19.1815   -8.8915
            12  C1a C    17.9214  -11.0617
            13  C1a C    20.3716   -6.8613
            14  O5x O    20.4416   -9.5915
            15  C1d C    27.5800   -7.6300
            16  C1b C    26.3900   -8.3300
            17  C1b C    28.7700   -8.3300
            18  C6a C    28.2800   -6.4400
            19  O1a O    26.8800   -6.4400
            20  C6a C    25.2000   -7.7000
            21  C6a C    28.7700   -9.7300
            22  O6a O    27.5800   -5.2500
            23  O6a O    29.6800   -6.4400
            24  O6a O    23.9400   -8.4000
            25  O6a O    25.2000   -6.3000
            26  O6a O    30.0300  -10.4300
            27  O6a O    27.5800  -10.4300
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    7  13 1
            13   11  14 2
            14    6   9 2
            15    7  11 1
            16   15  16 1
            17   15  17 1
            18   15  18 1
            19   15  19 1
            20   16  20 1
            21   17  21 1
            22   18  22 1
            23   18  23 2
            24   20  24 1
            25   20  25 2
            26   21  26 1
            27   21  27 2

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