KEGG   DRUG: Mirtazapine hydrateHelp
Entry
D11056                      Drug                                   

Name
Mirtazapine hydrate (JAN)
Formula
C17H19N3. xH2O
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01729  Tetracyclic antidepressant
Other
 DG01489  5-HT3-receptor antagonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: N06AX11
Chemical structure group: DG02838
Product (DG02838): D00563<JP/US>
Efficacy
Antidepressant, Serotonin receptor antagonist
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX11 Mirtazapine
      D11056  Mirtazapine hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D11056  Mirtazapine hydrate (JAN)
   Serotonin
    HTR2
     D11056  Mirtazapine hydrate (JAN)
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D11056  Mirtazapine hydrate (JAN)
BRITE hierarchy
Other DBs
PubChem: 363669769
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    17.9614  -15.9896
            2   N1y N    19.3701  -15.9896
            3   C8y C    20.2153  -14.9331
            4   C8y C    19.9336  -13.5244
            5   C8y C    17.1162  -14.9331
            6   C1x C    18.6657  -12.9609
            7   C8y C    17.3979  -13.5244
            8   C8x C    15.7779  -15.3557
            9   C8x C    14.7214  -14.3696
            10  C8x C    15.0031  -13.0314
            11  C8x C    16.3414  -12.6087
            12  C8x C    20.9197  -12.6087
            13  C8x C    22.2579  -13.0314
            14  C8x C    22.6101  -14.3696
            15  N5x N    21.5536  -15.2853
            16  C1x C    20.0744  -17.1870
            17  C1x C    19.3701  -18.4549
            18  N1y N    18.0318  -18.4549
            19  C1x C    17.2570  -17.2575
            20  C1a C    17.3275  -19.7227
            21  O0  O    24.8500  -18.7600
BOND        23
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 2
            6     1   2 1
            7     6   7 1
            8     5   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    7  11 1
            13    4  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    3  15 2
            18    2  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22    1  19 1
            23   18  20 1
BRACKET     1    22.7500  -19.5300   22.7500  -17.6400
            1    25.6200  -17.6400   25.6200  -19.5300
            1  x
 ORIGINAL  1   21
 REPEAT    1

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