KEGG   COMPOUND: C07512
Entry
C07512                      Compound                               
Name
Tetraethylammonium
Formula
C8H20N
Exact mass
130.1596
Mol weight
130.25
Structure
Pathway
map04976  Bile secretion
Other DBs
CAS: 66-40-0
PubChem: 9715
ChEBI: 44296
PDB-CCD: NET[PDBj]
NIKKAJI: J91.253K
LinkDB
KCF data

ATOM        9
            1   N1d N    28.8400  -16.9458 #+
            2   C1b C    27.6233  -16.2380
            3   C1b C    28.8400  -18.3498
            4   C1b C    28.8283  -15.5945
            5   C1b C    30.0861  -17.6011
            6   C1a C    26.4006  -16.9458
            7   C1a C    27.6233  -19.0518
            8   C1a C    30.0450  -14.8867
            9   C1a C    31.2737  -16.8523
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1

» Japanese version

KEGG   COMPOUND: C11310
Entry
C11310                      Compound                               
Name
1-Methyl-4-phenylpyridinium;
N-Methyl-4-phenylpyridine;
Cyperquat
Formula
C12H12N
Exact mass
170.0970
Mol weight
170.23
Structure
Pathway
map04976  Bile secretion
map05012  Parkinson disease
map05022  Pathways of neurodegeneration - multiple diseases
Network
nt06463  Parkinson disease
nt06466  Pathways of neurodegeneration
Other DBs
CAS: 48134-75-4
PubChem: 13485
ChEBI: 173662 641
PDB-CCD: WRF[PDBj]
NIKKAJI: J21.572D
LinkDB
KCF data

ATOM        13
            1   C8x C    21.2666  -17.1387
            2   C8x C    21.2666  -18.5385
            3   C8x C    22.4825  -19.2419
            4   C8x C    23.6916  -18.5385
            5   C8y C    23.6916  -17.1387
            6   C8x C    22.4825  -16.4424
            7   C8y C    24.9052  -16.4434
            8   C8x C    26.1157  -17.1422
            9   C8x C    27.3295  -16.4467
            10  N5y N    27.3305  -15.0469 #+
            11  C8x C    26.1179  -14.3427
            12  C8x C    24.9042  -15.0453
            13  C1a C    28.8943  -14.0645
BOND        14
            1     5   7 1
            2     1   2 2
            3     2   3 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12   7 1
            13    6   1 1
            14   10  13 1

» Japanese version

KEGG   COMPOUND: C01996
Entry
C01996                      Compound                               
Name
Acetylcholine;
O-Acetylcholine
Formula
C7H16NO2
Exact mass
146.1181
Mol weight
146.21
Structure
Remark
ATC code: S01EB09
Drug group: DG01133
Reaction
R01023 R01026
Pathway
map00564  Glycerophospholipid metabolism
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04721  Synaptic vesicle cycle
map04725  Cholinergic synapse
map04742  Taste transduction
map04810  Regulation of actin cytoskeleton
map04911  Insulin secretion
map04970  Salivary secretion
map04971  Gastric acid secretion
map04972  Pancreatic secretion
map04976  Bile secretion
map05022  Pathways of neurodegeneration - multiple diseases
map05033  Nicotine addiction
Network
nt06210  ERK signaling (cancer)
nt06214  PI3K signaling (cancer)
nt06219  JAK-STAT signaling (cancer)
nt06230  Cell cycle (cancer)
nt06460  Alzheimer disease
nt06466  Pathways of neurodegeneration
nt06528  Calcium signaling
Enzyme
2.3.1.6         3.1.1.7         3.1.1.8
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Neurotransmitters
   Acetylcholine
    C01996  Acetylcholine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB09 Acetylcholine
      C01996  Acetylcholine
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01532  Nicotinic cholinergic receptor agonist
   DG01133  Acetylcholine
    C01996  Acetylcholine
 Neuropsychiatric agent
  DG01490  Muscarinic cholinergic receptor agonist
   DG01133  Acetylcholine
    C01996  Acetylcholine
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG01133  Acetylcholine
    C01996  Acetylcholine
 Metabolizing enzyme substrate
  DG02974  ACHE substrate
   DG01133  Acetylcholine
    C01996  Acetylcholine
Other DBs
CAS: 51-84-3
PubChem: 5093
ChEBI: 15355
PDB-CCD: ACH[PDBj]
NIKKAJI: J4.127K
LinkDB
KCF data

ATOM        10
            1   N1d N    22.3189  -15.4000 #+
            2   C1b C    23.5027  -16.0881
            3   C1a C    21.5840  -16.7355
            4   C1a C    21.6365  -14.0646
            5   C1a C    20.9542  -15.4000
            6   C1b C    24.6866  -15.4000
            7   O7a O    25.8704  -16.0881
            8   C7a C    27.0543  -15.4000
            9   C1a C    28.2382  -16.0881
            10  O6a O    27.0543  -14.0353
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2

» Japanese version

KEGG   COMPOUND: C06810
Entry
C06810                      Compound                               
Name
Aciclovir;
Acyclovir
Formula
C8H11N5O3
Exact mass
225.0862
Mol weight
225.21
Structure
Remark
Same as: D00222
Pathway
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BB Antivirals
     D06BB03 Aciclovir
      D00222  Acyclovir (USP) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AB Nucleosides and nucleotides excl. reverse transcriptase inhibitors
     J05AB01 Aciclovir
      D00222  Acyclovir (USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AD Antivirals
     S01AD03 Aciclovir
      D00222  Acyclovir (USP) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Antiherpetic Agents
   Acyclovir
    D00222  Acyclovir (USP)
 Dermatological Agents
  Topical Anti-infectives
   Antivirals, dermatological
    Acyclovir
     D00222  Acyclovir (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00222  Acyclovir (USP); Aciclovir (JP18/INN)
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00222  Acyclovir (USP); Aciclovir (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  91 Antivirals
   D00222  Acyclovir (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Aciclovir
    D00222  Acyclovir (USP)
Drug groups [BR:br08330]
 Antiviral
  DG02840  Anti-herpesvirus agent
   DG00406  Aciclovir
    D00222  Acyclovir
 Transporter substrate
  DG02858  SLC22A1 substrate
   DG00406  Aciclovir
    D00222  Acyclovir
  DG02859  SLC22A6 substrate
   DG00406  Aciclovir
    D00222  Acyclovir
  DG02860  SLC22A8 substrate
   DG00406  Aciclovir
    D00222  Acyclovir
Drug classes [BR:br08332]
 Antiviral
  DG02840  Anti-herpesvirus agent
   D00222  Acyclovir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   Herpesvirus DNA polymerase inhibitor
    D00222  Acyclovir (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00222  Aciclovir
  D00222  Aciclovir tablets
  D00222  Aciclovir granules
  D00222  Aciclovir syrup
  D00222  Aciclovir for syrup
  D00222  Aciclovir injection
  D00222  Aciclovir for injection
  D00222  Aciclovir ophthalmic oinment
  D00222  Aciclovir ointment
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D00222
Prodrugs [br08324.html]
 D00222
Rx-to-OTC switch list in Japan [br08314.html]
 D00222
Prodrugs [br08324.html]
 C06810
Other DBs
CAS: 59277-89-3
PubChem: 9029
ChEBI: 2453
PDB-CCD: AC2[PDBj]
NIKKAJI: J11.247J
LinkDB
KCF data

ATOM        16
            1   N4y N    23.8700  -17.9200
            2   C8y C    25.1300  -17.4300
            3   C8y C    25.1300  -16.0300
            4   N5x N    23.8000  -15.6800
            5   C8x C    23.0300  -16.8000
            6   N5x N    26.3900  -18.1300
            7   C8y C    27.5800  -17.4300
            8   N4x N    27.5800  -16.0300
            9   C8y C    26.3200  -15.3300
            10  O5x O    26.3200  -13.9300
            11  N1a N    28.8400  -18.0600
            12  C1b C    23.8700  -19.3200
            13  O2a O    22.6100  -20.0200
            14  C1b C    21.4200  -19.3200
            15  C1b C    20.1600  -20.0200
            16  O1a O    18.9700  -19.3200
BOND        17
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 1
            10    3   9 1
            11    9  10 2
            12    7  11 1
            13    1  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1

» Japanese version

KEGG   DRUG: Cimetidine
Entry
D00295                      Drug                                   
Name
Cimetidine (JP18/USP/INN);
Tagamet (TN)
Product
  Generic
CIMETIDINE (A-S Medication Solutions), CIMETIDINE (A-S Medication Solutions), CIMETIDINE (Chartwell RX), CIMETIDINE (Mylan Pharmaceuticals), CIMETIDINE (Northwind Pharmaceuticals), CIMETIDINE (PD-Rx Pharmaceuticals), CIMETIDINE (Proficient Rx LP), CIMETIDINE (RPK Pharmaceuticals), CIMETIDINE (Teva Pharmaceuticals USA)
Formula
C10H16N6S
Exact mass
252.1157
Mol weight
252.34
Structure
Simcomp
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Same as: C06952
Therapeutic category: 2325
ATC code: A02BA01
Chemical structure group: DG00017
Product (DG00017): D00295<JP/US> D03503<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
  Disease
Duodenal ulcer [DS:H01634]
Gastric ulcer [DS:H01634]
Gastroesophageal reflux disease [DS:H01602]
Zollinger-Ellison syndrome [DS:H01522]
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA01 Cimetidine
      D00295  Cimetidine (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) Receptor Antagonists
   Cimetidine
    D00295  Cimetidine (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2325  H2 blockers
     D00295  Cimetidine (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  09 Histamine H2 receptor blocker containing drugs
   D00295  Cimetidine (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Cimetidine
    D00295  Cimetidine (JP18/USP/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00017  Cimetidine
     D00295  Cimetidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00017  Cimetidine
    D00295  Cimetidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00017  Cimetidine
     D00295  Cimetidine
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01481  Histamine receptor H2 antagonist
   D00295  Cimetidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D00295  Cimetidine (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00295  Cimetidine
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00295
Rx-to-OTC switch list in the USA [br08315.html]
 D00295
Rx-to-OTC switch list in Japan [br08314.html]
 D00295
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    DG00017  Cimetidine
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00017  Cimetidine
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00017  Cimetidine
Other DBs
CAS: 51481-61-9
PubChem: 7847361
ChEBI: 3699
LigandBox: D00295
NIKKAJI: J3.190I
LinkDB
KCF data

ATOM        17
            1   C1b C    24.5609  -17.1206
            2   S2a S    25.7722  -16.4242
            3   C1b C    26.9833  -17.1206
            4   C1b C    28.1944  -16.4242
            5   N1b N    29.4055  -17.1206
            6   C2c C    30.6226  -16.4242
            7   N2b N    30.6226  -15.0201
            8   N1b N    31.8337  -17.1206
            9   C3b C    31.8337  -14.3237
            10  C1a C    33.0449  -16.4242
            11  N3a N    33.0598  -13.6286
            12  C8y C    23.3693  -16.4301
            13  N5x N    23.3693  -15.0301
            14  C8x C    22.0378  -14.5975
            15  N4x N    21.2149  -15.7301
            16  C8y C    22.0378  -16.8627
            17  C1a C    21.6042  -18.1971
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 3
            11    1  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   12  16 2
            17   16  17 1

» Japanese version   » Back

KEGG   COMPOUND: C00114
Entry
C00114                      Compound                               
Name
Choline;
Bilineurine
Formula
C5H14NO
Exact mass
104.1075
Mol weight
104.17
Structure
Remark
Same as: D07690
Reaction
R01021 R01022 R01023 R01025 R01026 R01027 R01028 R01029
R01030 R01310 R02381 R02542 R03075 R05739 R05794 R06871
R07377 R07386 R07409 R08212 R08557 R08558 R10285
Pathway
map00260  Glycine, serine and threonine metabolism
map00552  Teichoic acid biosynthesis
map00564  Glycerophospholipid metabolism
map01100  Metabolic pathways
map02010  ABC transporters
map04725  Cholinergic synapse
map04976  Bile secretion
map05231  Choline metabolism in cancer
Module
M00090  Phosphatidylcholine (PC) biosynthesis, choline => PC
M00555  Betaine biosynthesis, choline => betaine
Enzyme
1.1.1.1         1.1.3.17        1.1.99.1        1.14.15.7       
2.3.1.6         2.3.1.91        2.6.-.-         2.7.1.32        
2.7.8.24        2.8.2.6         3.1.1.7         3.1.1.8         
3.1.1.49        3.1.3.75        3.1.4.2         3.1.4.4         
3.1.4.41        3.1.4.46        3.1.6.6         4.3.99.4
Brite
Pesticides [BR:br08007]
 Pesticides
  Plant growth regulators
   Others
    C00114  Choline
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Choline
    C00114  Choline
Other DBs
CAS: 62-49-7
PubChem: 3414
ChEBI: 15354
KNApSAcK: C00007298
PDB-CCD: CHT[PDBj]
NIKKAJI: J4.822D
LinkDB
KCF data

ATOM        7
            1   C1a C     6.1600  -12.6700
            2   N1d N     7.3724  -11.9700 #+
            3   C1b C     8.5849  -12.6700
            4   C1b C     9.7973  -11.9700
            5   O1a O    11.0097  -12.6700
            6   C1a C     7.3724  -10.5702
            7   C1a C     7.3724  -13.3700
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     2   7 1

» Japanese version

KEGG   COMPOUND: C03758
Entry
C03758                      Compound                               
Name
Dopamine;
4-(2-Aminoethyl)-1,2-benzenediol;
4-(2-Aminoethyl)benzene-1,2-diol;
3,4-Dihydroxyphenethylamine;
2-(3,4-Dihydroxyphenyl)ethylamine
Formula
C8H11NO2
Exact mass
153.0790
Mol weight
153.18
Structure
Remark
Same as: D07870
Reaction
R02080 R02383 R02535 R04084 R04300 R04301 R04305 R05749
R05750 R08444 R08445 R08447 R08513 R08832 R08835 R11684
R13309
Pathway
map00350  Tyrosine metabolism
map00950  Isoquinoline alkaloid biosynthesis
map00965  Betalain biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04540  Gap junction
map04721  Synaptic vesicle cycle
map04728  Dopaminergic synapse
map04917  Prolactin signaling pathway
map04976  Bile secretion
map05012  Parkinson disease
map05030  Cocaine addiction
map05031  Amphetamine addiction
map05032  Morphine addiction
map05034  Alcoholism
Module
M00042  Catecholamine biosynthesis, tyrosine => dopamine => noradrenaline => adrenaline
M00943  Reticuline biosynthesis, dopamine + 4HPAA => (S)-reticuline
Network
nt06028  Dopamine and serotonin metabolism
nt06167  Human cytomegalovirus (HCMV)
nt06463  Parkinson disease
Enzyme
1.4.3.4         1.4.3.21        1.4.3.-         1.4.9.2         
1.10.3.-        1.14.13.-       1.14.17.1       1.14.18.1       
2.1.1.6         3.5.99.12       3.5.99.14       3.5.99.15       
3.5.99.16       4.1.1.25        4.1.1.28
Brite
Compounds with biological roles [BR:br08001]
 Peptides
  Amines
   Biogenic amines
    C03758  Dopamine
 Hormones and transmitters
  Other hormones
   Dopamine
    C03758  Dopamine
  Neurotransmitters
   Biogenic amines
    C03758  Dopamine
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Tyramine derivatives
    C03758  Dopamine
Prodrugs [br08324.html]
 C03758
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA04 Dopamine
      D07870  Dopamine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01699  Catecholamine cardiotonic
    DG00213  Dopamine
     D07870  Dopamine
 Neuropsychiatric agent
  DG01472  Dopamine agonist
   DG00213  Dopamine
    D07870  Dopamine
 Metabolizing enzyme substrate
  DG01592  COMT substrate
   DG00213  Dopamine
    D07870  Dopamine
  DG02917  MAO substrate
   DG03179  MAOB substrate
    DG00213  Dopamine
     D07870  Dopamine
 Transporter substrate
  DG02854  SLC22A2 substrate
   DG00213  Dopamine
    D07870  Dopamine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD
     D07870  Dopamine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07870
 Drug transporters
  D07870
Prodrugs [br08324.html]
 D07870
Other DBs
CAS: 51-61-6
PubChem: 6517
ChEBI: 18243
KNApSAcK: C00001408
PDB-CCD: LDP[PDBj]
NIKKAJI: J4.120C
LinkDB
KCF data

ATOM        11
            1   C8y C    25.9700  -18.5500
            2   C8x C    24.7800  -17.8500
            3   C8x C    25.9700  -19.9500
            4   C1b C    27.2300  -17.8500
            5   C8y C    23.5900  -18.5500
            6   C8x C    24.7800  -20.6500
            7   C1b C    28.4200  -18.5500
            8   C8y C    23.5900  -19.9500
            9   O1a O    22.4000  -17.8500
            10  N1a N    29.6100  -17.8500
            11  O1a O    22.4000  -20.5800
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    6   8 2

» Japanese version

KEGG   DRUG: Famotidine
Entry
D00318                      Drug                                   
Name
Famotidine (JP18/USP/INN);
Fluxid (TN);
Pepcid (TN)
Product
  Generic
FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (A-S Medication Solutions), FAMOTIDINE (ANI Pharmaceuticals), FAMOTIDINE (Advanced Rx Pharmacy of Tennessee), FAMOTIDINE (Ajanta Pharma USA), FAMOTIDINE (Akorn), FAMOTIDINE (Alembic Pharmaceuticals Limited), FAMOTIDINE (Alembic Pharmaceuticals), FAMOTIDINE (American Health Packaging), FAMOTIDINE (Amneal Pharmaceuticals NY LLC), FAMOTIDINE (Amneal Pharmaceuticals NY LLC), FAMOTIDINE (Aphena Pharma Solutions - Tennessee), FAMOTIDINE (Aphena Pharma Solutions - Tennessee), FAMOTIDINE (Ascend Laboratories), FAMOTIDINE (Ascend Laboratories), FAMOTIDINE (Ascend Laboratories), FAMOTIDINE (Ascent Pharmaceuticals), FAMOTIDINE (Asclemed USA), FAMOTIDINE (Athenex Pharmaceutical Division), FAMOTIDINE (Aurobindo Pharma Limited), FAMOTIDINE (AvKARE), FAMOTIDINE (AvPAK), FAMOTIDINE (AvPAK), FAMOTIDINE (Baxter Healthcare Corporation), FAMOTIDINE (Biocon Pharma), FAMOTIDINE (BluePoint Laboratories), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Bryant Ranch Prepack), FAMOTIDINE (Camber Pharmaceuticals), FAMOTIDINE (Camber Pharmaceuticals), FAMOTIDINE (Cardinal Health 107), FAMOTIDINE (Cardinal Health 107), FAMOTIDINE (Cardinal Health 107), FAMOTIDINE (Carlsbad Technology), FAMOTIDINE (Carnegie Pharmaceuticals LLC), FAMOTIDINE (Chartwell RX), FAMOTIDINE (DR. REDDY'S LABORATORIES), FAMOTIDINE (Denton Pharma), FAMOTIDINE (Direct_Rx), FAMOTIDINE (Direct_Rx), FAMOTIDINE (Direct_Rx), FAMOTIDINE (Dr.Reddy's Laboratories Limited), FAMOTIDINE (Fresenius Kabi USA), FAMOTIDINE (Fresenius Kabi USA), FAMOTIDINE (Fresenius Kabi USA), FAMOTIDINE (Golden State Medical Supply), FAMOTIDINE (Golden State Medical Supply), FAMOTIDINE (Golden State Medical Supply), FAMOTIDINE (Graviti Pharmaceuticals Private Limited), FAMOTIDINE (HF Acquisition Co LLC), FAMOTIDINE (Hikma Pharmaceuticals USA), FAMOTIDINE (Legacy Pharmaceutical Packaging), FAMOTIDINE (Legacy Pharmaceutical Packaging), FAMOTIDINE (Lifestar Pharma LLC), FAMOTIDINE (Lupin Pharmaceuticals), FAMOTIDINE (Lupin Pharmaceuticals), FAMOTIDINE (Major Pharmaceuticals), FAMOTIDINE (Mckesson Corporation DBA SKY Packaginng), FAMOTIDINE (Medical Purchasing Solutions), FAMOTIDINE (Medical Purchasing Solutions), FAMOTIDINE (Medsource Pharmaceuticals), FAMOTIDINE (Micro Labs Limited), FAMOTIDINE (Mylan Institutional LLC), FAMOTIDINE (NCS HealthCare of KY), FAMOTIDINE (NCS HealthCare of KY), FAMOTIDINE (Navinta LLC), FAMOTIDINE (NorthStar Rx LLC), FAMOTIDINE (Northstar Rx LLC), FAMOTIDINE (Northwind Pharmaceuticals), FAMOTIDINE (Northwind Pharmaceuticals), FAMOTIDINE (Northwind Pharmaceuticals), FAMOTIDINE (Northwind Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmaceuticals), FAMOTIDINE (NuCare Pharmceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (PD-Rx Pharmaceuticals), FAMOTIDINE (Padagis US LLC), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Preferred Pharmaceuticals), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (Proficient Rx LP), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (REMEDYREPACK), FAMOTIDINE (RPK Pharmaceuticals), FAMOTIDINE (RPK Pharmaceuticals), FAMOTIDINE (RPK Pharmaceuticals), FAMOTIDINE (RPK Pharmaceuticals), FAMOTIDINE (RedPharm Drug), FAMOTIDINE (RedPharm Drug), FAMOTIDINE (RedPharm Drug), FAMOTIDINE (RedPharm Drug), FAMOTIDINE (RedPharm Drug), FAMOTIDINE (RedPharm Drug), FAMOTIDINE (Redpharm Drug), FAMOTIDINE (Redpharm drug), FAMOTIDINE (Rising Pharma Holdings), FAMOTIDINE (ST. MARY'S MEDICAL PARK PHARMACY), FAMOTIDINE (ST. MARY'S MEDICAL PARK PHARMACY), FAMOTIDINE (St. Mary's Medical Park Pharmacy), FAMOTIDINE (St. Mary's Medical Park Pharmacy), FAMOTIDINE (Teva Pharmaceuticals USA), FAMOTIDINE (Upsher-Smith Laboratories), FAMOTIDINE (XLCare Pharmaceuticals), FAMOTIDINE (Zydus Lifesciences Limited), FAMOTIDINE (Zydus Lifesciences Limited), FAMOTIDINE (Zydus Pharmaceuticals USA), FAMOTIDINE (Zydus Pharmaceuticals USA), FAMOTIDINE (Zydus Pharmaceuticals USA), FAMOTIDINE (direct rx), FAMOTIDINE (direct rx), PEPCID (Bausch Health US LLC)
Formula
C8H15N7O2S3
Exact mass
337.0449
Mol weight
337.45
Structure
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
Transporter substrate
 DG02854  SLC22A2 substrate
 DG02860  SLC22A8 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
 DG02881  SLC22A3 inhibitor
Remark
Therapeutic category: 2325
ATC code: A02BA03
Product: D00318<JP/US>
Product (mixture): D11575<US>
Efficacy
Anti-ulcerative, H2 receptor antagonist
  Disease
Duodenal ulcer [DS:H01634]
Gastric ulcer [DS:H01634]
Gastroesophageal reflux disease [DS:H01602]
Zollinger-Ellison syndrome [DS:H01522]
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Metabolism
Transporter: SLC22A2 [HSA:6582], SLC22A8 [HSA:9376]
Interaction
CYP inhibition: CYP1A2 [HSA:1544]
Transporter inhibition: SLC22A2 [HSA:6582], SLC22A3 [HSA:6581]
Structure map
map07038  Antiulcer drugs
map07227  Histamine H2/H3 receptor agonists/antagonists
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA03 Famotidine
      D00318  Famotidine (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Histamine2 (H2) Receptor Antagonists
   Famotidine
    D00318  Famotidine (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   232  Peptic ulcer agents
    2325  H2 blockers
     D00318  Famotidine (JP18/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  09 Histamine H2 receptor blocker containing drugs
   D00318  Famotidine (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Famotidine
    D00318  Famotidine (JP18/USP/INN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01481  Histamine receptor H2 antagonist
    D00318  Famotidine
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   D00318  Famotidine
 Transporter substrate
  DG02854  SLC22A2 substrate
   D00318  Famotidine
  DG02860  SLC22A8 substrate
   D00318  Famotidine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   D00318  Famotidine
  DG02881  SLC22A3 inhibitor
   D00318  Famotidine
Drug classes [BR:br08332]
 Gastrointestinal agent
  DG01481  Histamine receptor H2 antagonist
   D00318  Famotidine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH2
     D00318  Famotidine (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00318  Famotidine
  D00318  Famotidine tablets
  D00318  Famotidine powder
  D00318  Famotidine injection
  D00318  Famotidine for injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00318
 Drug transporters
  D00318
Rx-to-OTC switch list in the USA [br08315.html]
 D00318
Rx-to-OTC switch list in Japan [br08314.html]
 D00318
Other DBs
CAS: 76824-35-6
PubChem: 7847384
ChEBI: 4975
LigandBox: D00318
NIKKAJI: J22.992J
LinkDB
KCF data

ATOM        20
            1   C1b C    21.2100  -23.8000
            2   S2a S    22.4700  -23.1000
            3   C1b C    23.6600  -23.8000
            4   C1b C    24.8500  -23.1000
            5   C2c C    26.1100  -23.8000
            6   N2b N    27.3000  -23.1000
            7   C8y C    20.0200  -23.1000
            8   N5x N    20.0200  -21.7000
            9   C8y C    18.6900  -21.2800
            10  S2x S    17.8500  -22.4000
            11  C8x C    18.6900  -23.5200
            12  N2b N    18.2620  -19.9470
            13  C2c C    16.9019  -19.6530
            14  N1a N    15.9389  -20.7155
            15  N1a N    16.4756  -18.3267
            16  N1a N    26.1272  -25.1999
            17  S4a S    28.5181  -23.7901
            18  O3c O    29.6995  -23.0950
            19  O3c O    28.4598  -25.1994
            20  N1a N    29.7021  -24.5005
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11    7  11 2
            12    9  12 1
            13   12  13 2
            14   13  14 1
            15   13  15 1
            16    5  16 1
            17    6  17 1
            18   17  18 2
            19   17  19 2
            20   17  20 1

» Japanese version   » Back

KEGG   DRUG: Ganciclovir
Entry
D00333                      Drug                                   
Name
Ganciclovir (JAN/USP/INN);
Cytovene (TN);
Vitrasert (TN);
Zirgan (TN)
Product
GANCICLOVIR (EXELA PHARMA SCIENCES), ZIRGAN (Bausch & Lomb Incorporated)
Formula
C9H13N5O4
Exact mass
255.0968
Mol weight
255.23
Structure
Simcomp
Class
Antiviral
 DG02840  Anti-herpesvirus agent
 DG01937  Anti-cytomegalovirus agent
Remark
Same as: C07019
Therapeutic category: 6250
ATC code: J05AB06 S01AD09
Chemical structure group: DG00646
Product (DG00646): D00333<JP/US> D04301<US>
Efficacy
Antiviral, DNA polymerase inhibitor
  Disease
CMV retinitis, Prevention of CMV disease [DS:H00368]
Acute herpetic keratitis [DS:H00365]
Target
HCMV DNA polymerase [KO:K18964]
Herpesvirus DNA polymerase [KO:K18964]
  Pathway
ko03240  Viral replication
Interaction
Structure map
map07044  Antiviral agents
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AB Nucleosides and nucleotides excl. reverse transcriptase inhibitors
     J05AB06 Ganciclovir
      D00333  Ganciclovir (JAN/USP/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AD Antivirals
     S01AD09 Ganciclovir
      D00333  Ganciclovir (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-cytomegalovirus (CMV) Agents
   Ganciclovir
    D00333  Ganciclovir (JAN/USP/INN)
 Ophthalmic Agents
  Ophthalmic Anti-Infectives
   Antiviral, Ophthalmic
    Ganciclovir
     D00333  Ganciclovir (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00333  Ganciclovir (JAN/USP/INN)
Drug groups [BR:br08330]
 Antiviral
  DG02840  Anti-herpesvirus agent
   DG00646  Ganciclovir
    D00333  Ganciclovir
  DG01937  Anti-cytomegalovirus agent
   DG00646  Ganciclovir
    D00333  Ganciclovir
Drug classes [BR:br08332]
 Antiviral
  DG02840  Anti-herpesvirus agent
   D00333  Ganciclovir
  DG01937  Anti-cytomegalovirus agent
   D00333  Ganciclovir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   Herpesvirus DNA polymerase inhibitor
    D00333  Ganciclovir (JAN/USP/INN) <JP/US>
Prodrugs [br08324.html]
 D00333
Drug groups [BR:br08330]
 Antiviral
  DG02840  Anti-herpesvirus agent
   DG00646  Ganciclovir
  DG01937  Anti-cytomegalovirus agent
   DG00646  Ganciclovir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   Herpesvirus DNA polymerase inhibitor
    DG00646  Ganciclovir
Other DBs
CAS: 82410-32-0
PubChem: 7847399
ChEBI: 465284
PDB-CCD: GA2[PDBj]
LigandBox: D00333
NIKKAJI: J22.096E
LinkDB
KCF data

ATOM        18
            1   N4y N    23.5894  -15.7792
            2   C8y C    24.8354  -15.3006
            3   C8y C    24.8570  -13.9009
            4   N5x N    23.5108  -13.5146
            5   C8x C    22.7274  -14.6754
            6   N5x N    26.2117  -15.9583
            7   C8y C    27.3295  -15.2166
            8   N4x N    27.2810  -13.8170
            9   C8y C    26.0446  -13.1592
            10  O5x O    26.0667  -11.7758
            11  N1a N    28.5757  -15.8792
            12  C1b C    23.5894  -17.1792
            13  O2a O    22.3901  -17.8713
            14  C1c C    21.1762  -17.1701
            15  C1b C    19.9977  -17.8502
            16  C1b C    21.1759  -15.7504
            17  O1a O    19.9890  -15.0651
            18  O1a O    18.8022  -17.1595
BOND        19
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 1
            10    3   9 1
            11    9  10 2
            12    7  11 1
            13    1  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   15  18 1

» Japanese version   » Back

KEGG   COMPOUND: C07065
Entry
C07065                      Compound                               
Name
Lamivudine;
3TC;
2',3'-Dideoxy-3'-thiacytidine
Formula
C8H11N3O3S
Exact mass
229.0521
Mol weight
229.26
Structure
Remark
Same as: D00353
Pathway
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
     J05AF05 Lamivudine
      D00353  Lamivudine (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis B (HBV) Agents
   Lamivudine
    D00353  Lamivudine (JAN/USP/INN)
  Anti-HIV Agents, Nucleoside and Nucleotide Reverse Transcriptase Inhibitors (NRTI)
   Lamivudine
    D00353  Lamivudine (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00353  Lamivudine (JAN/USP/INN)
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   D00353  Lamivudine
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    D00353  Lamivudine
 Transporter substrate
  DG02859  SLC22A6 substrate
   D00353  Lamivudine
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D00353  Lamivudine
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D00353  Lamivudine (JAN/USP/INN) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D00353  Lamivudine (JAN/USP/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00353
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00353
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D00353
Other DBs
CAS: 134678-17-4
PubChem: 9277
ChEBI: 63577
PDB-CCD: 3TC[PDBj]
NIKKAJI: J457.051K
LinkDB
KCF data

ATOM        15
            1   C1y C    43.8423  -23.2523
            2   N4y N    45.2275  -22.5597
            3   O2x O    42.7341  -22.4211
            4   C1x C    43.4267  -24.5682
            5   C8y C    46.4049  -21.8671
            6   C8x C    43.9808  -21.9363
            7   C1y C    41.6260  -23.2523
            8   S2x S    42.0415  -24.5682
            9   N5x N    46.4049  -20.4126
            10  O5x O    47.5823  -22.4904
            11  C8x C    43.9808  -20.5511
            12  C1b C    40.4486  -22.6289
            13  C8y C    45.1582  -19.8585
            14  O1a O    39.1326  -23.4600
            15  N1a N    45.1582  -18.4734
BOND        16
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1 #Down
            12    9  13 2
            13   12  14 1
            14   13  15 1
            15    7   8 1
            16   11  13 1

» Japanese version

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