KEGG   DRUG: Agomelatine
Entry
D02578                      Drug                                   
Name
Agomelatine (INN);
Valdoxan (TN)
Formula
C15H17NO2
Exact mass
243.1259
Mol weight
243.301
Structure
Remark
ATC code: N06AX22
Efficacy
Antidepressant, Serotonin receptor antagonist, Melatonin receptor agonist
Target
HTR2C [HSA:3358] [KO:K04157]
MTNR1 [HSA:4543 4544] [KO:K04285 K04286]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04713  Circadian entrainment
hsa04726  Serotonergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX22 Agomelatine
      D02578  Agomelatine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2C
     D02578  Agomelatine (INN)
   Melatonin
    MTNR1
     D02578  Agomelatine (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02578
Other DBs
CAS: 138112-76-2
PubChem: 17396749
PDB-CCD: AWY[PDBj]
LigandBox: D02578
KCF data

ATOM        18
            1   C8x C    10.3600  -13.6500
            2   C8y C    10.3600  -15.0500
            3   C8y C    11.5724  -15.7500
            4   C8y C    12.7849  -15.0500
            5   C8x C    12.7849  -13.6500
            6   C8x C    11.5724  -12.9500
            7   C8x C     9.1476  -15.7500
            8   C8x C     9.1476  -17.1500
            9   C8y C    10.3600  -17.8500
            10  C8x C    11.5724  -17.1500
            11  O2a O    10.3600  -19.2500
            12  C1a C    11.5724  -19.9500
            13  C1b C    14.0224  -15.7500
            14  C1b C    15.2349  -15.0500
            15  N1b N    16.4473  -15.7500
            16  C5a C    17.6597  -15.0500
            17  C1a C    18.8722  -15.7500
            18  O5a O    17.6597  -13.6501
BOND        19
            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     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    9  11 1
            13   11  12 1
            14    4  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2

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Ontology (3)   
   KEGG BRITE (3)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   HMDB (1)   
   PDB-CCD (1)   
Gene (6)   
   KEGG ORTHOLOGY (3)   
   KEGG GENES (3)   
All databases (13)   

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