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
450.9207
Structure
Class
Neuropsychiatric agent
 DG03225  Orexin receptor antagonist
 DG03202  Hypnotic
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 1190
ATC code: N05CM19
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
    N05CM Other hypnotics and sedatives
     N05CM19 Suvorexant
      D10082  Suvorexant (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Sleep Disorder Agents
  Sleep Promoting Agents
   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
  DG01633  CYP3A/CYP3A4 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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