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KEGG   DRUG: Suvorexant
Entry
D10082                      Drug                                   
Name
Suvorexant (JAN/USAN);
MK-4305;
Belsomra (TN)
Product
BELSOMRA (Merck Sharp & Dohme LLC)
Formula
C23H23ClN6O2
Exact mass
450.1571
Mol weight
450.92
Structure
Class
Neuropsychiatric agent
 DG03225  Orexin receptor antagonist
 DG03202  Hypnotic
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 1190
ATC code: N05CJ01
Product: D10082<JP/US>
Efficacy
Hypnotic, Orexin receptor antagonist
  Disease
Insomnia [DS:H01609]
Target
HCRTR [HSA:3061 3062] [KO:K04238 K04239]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; CYP2C19 [HSA:1557]
Interaction
Transporter inhibition: ABCB1 [HSA:5243]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CJ Orexin receptor antagonists
     N05CJ01 Suvorexant
      D10082  Suvorexant (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Sleep Disorder Agents
  Sleep Promoting Agents
   Orexin Receptor Antagonists
    Suvorexant
     D10082  Suvorexant (JAN/USAN)
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
     D10082  Suvorexant (JAN/USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03225  Orexin receptor antagonist
   D10082  Suvorexant
  DG03202  Hypnotic
   D10082  Suvorexant
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   D10082  Suvorexant
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D10082  Suvorexant
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG03202  Hypnotic
   D10082  Suvorexant
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Orexin
    HCRTR
     D10082  Suvorexant (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10082
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10082
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10082
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10082
 Drug transporters
  D10082
Other DBs
CAS: 1030377-33-3
PubChem: 163312227
ChEBI: 82698
PDB-CCD: SUV[PDBj]
LinkDB
KCF data

ATOM        32
            1   C8x C    11.2000  -14.5600
            2   C8y C    11.2000  -15.9600
            3   C8x C    12.3900  -16.6600
            4   C8y C    13.6500  -15.9600
            5   C8y C    13.6500  -14.5600
            6   C8x C    12.3900  -13.8600
            7   X   Cl   10.0100  -16.6600
            8   N5x N    14.9800  -16.3800
            9   C8y C    15.7500  -15.2600
            10  O2x O    14.9800  -14.1400
            11  N1y N    17.1500  -15.2600
            12  C1x C    17.1500  -13.8600
            13  C1x C    18.2700  -12.9500
            14  N1y N    19.6000  -13.3000
            15  C1y C    20.2300  -14.5600
            16  C1x C    19.6000  -15.8200
            17  C1x C    18.2700  -16.1000
            18  C1a C    21.6300  -14.5600
            19  C5a C    20.7900  -12.6000
            20  O5a O    21.9800  -13.3000
            21  C8y C    20.7900  -11.2000
            22  C8x C    21.9800  -10.5000
            23  C8y C    21.9800   -9.1000
            24  C8x C    20.7900   -8.4000
            25  C8x C    19.6000   -9.1000
            26  C8y C    19.6000  -10.5000
            27  C1a C    23.1700   -8.4000
            28  N4y N    18.3147  -11.1251
            29  N5x N    17.1851  -10.3387
            30  C8x C    16.0920  -11.1727
            31  C8x C    16.5474  -12.4700
            32  N5x N    17.9219  -12.4378
BOND        36
            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     4   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   14  15 1
            14   12  11 1
            15   15  16 1
            16   13  14 1
            17   11  17 1
            18   12  13 1
            19   16  17 1
            20   15  18 1 #Down
            21   19  20 2
            22   19  14 1
            23   19  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   23  27 1
            31   26  28 1
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   28  32 1

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