KEGG   DRUG: MelatoninHelp
Entry
D08170                      Drug                                   

Name
Melatonin (JAN);
Melatonina (TN)
Formula
C13H16N2O2
Exact mass
232.1212
Mol weight
232.2783
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01589  Melatonin receptor agonist
Enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C01598
ATC code: N05CH01
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
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melatonin
    MTNR1
     D08170  Melatonin (JAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08170
BRITE hierarchy
Other DBs
CAS: 73-31-4
PubChem: 96024860
ChEBI: 16796
ChEMBL: CHEMBL45
DrugBank: DB01065
PDB-CCD: ML1[PDBj]
LigandBox: D08170
NIKKAJI: J5.258B
LinkDB All DBs
KCF data Show

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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