KEGG   DRUG: Melatonin
Entry
D08170                      Drug                                   
Name
Melatonin (JAN);
Melatonina (TN);
Melatobel (TN)
Formula
C13H16N2O2
Exact mass
232.1212
Mol weight
232.2783
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01589  Melatonin receptor agonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C01598
Therapeutic category: 1190
ATC code: N05CH01
Product: D08170<JP>
Efficacy
Anticonvulsant, Cerebroprotective, Sedative-hypnotic, Melatonin receptor agonist
Comment
Hormone
Free oxygen radical scavenger
Target
MTNR1 [HSA:4543 4544] [KO:K04285 K04286]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04713  Circadian entrainment
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CH Melatonin receptor agonists
     N05CH01 Melatonin
      D08170  Melatonin (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D08170  Melatonin (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01589  Melatonin receptor agonist
   D08170  Melatonin
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D08170  Melatonin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melatonin
    MTNR1
     D08170  Melatonin (JAN) <JP>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08170
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08170
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08170
Other DBs
CAS: 73-31-4
PubChem: 96024860
ChEBI: 16796
PDB-CCD: ML1[PDBj]
LigandBox: D08170
NIKKAJI: J5.258B
KCF data

ATOM        17
            1   C8x C    18.1300  -19.6000
            2   C8y C    18.1300  -18.2000
            3   C8x C    19.3200  -17.5000
            4   C8y C    20.5100  -18.2000
            5   C8y C    20.5100  -19.6000
            6   C8x C    19.3200  -20.3000
            7   C8y C    21.8400  -17.7800
            8   C8x C    22.6800  -18.9000
            9   N4x N    21.8400  -20.0900
            10  O2a O    16.8700  -17.5000
            11  C1a C    15.6800  -18.2000
            12  C1b C    22.2600  -16.4500
            13  C1b C    23.6600  -16.1700
            14  N1b N    24.0800  -14.8400
            15  C5a C    25.4800  -14.5600
            16  C1a C    25.9000  -13.2300
            17  O5a O    26.3900  -15.6100
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13    7  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2

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Ontology (7)   
   KEGG BRITE (7)   
Drug (3)   
   KEGG DGROUP (2)   
   LigandBox (1)   
Chemical substance (7)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (21)   

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