KEGG   DRUG: TasimelteonHelp
Entry
D09388                      Drug                                   

Name
Tasimelteon (USAN/INN);
Hetlioz (TN)
Product
Formula
C15H19NO2
Exact mass
245.1416
Mol weight
245.3169
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01589  Melatonin receptor agonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: N05CH03
Product: D09388<US>
Efficacy
Hypnotic, Melatonin receptor agonist
Comment
Sleep disorders
Target
MTNR1 [HSA:4543 4544] [KO:K04285 K04286]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04713  Circadian entrainment
Metabolism
Enzyme: CYP3A4 [HSA:1576], 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
     N05CH03 Tasimelteon
      D09388  Tasimelteon (USAN/INN) <US>
USP drug classification [BR:br08302]
 Sleep Disorder Agents
  Sleep Disorders, Other
   Tasimelteon
    D09388  Tasimelteon (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melatonin
    MTNR1
     D09388  Tasimelteon (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09388
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09388
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09388
BRITE hierarchy
Other DBs
CAS: 609799-22-6
PubChem: 96026068
ChEBI: 79042
ChEMBL: CHEMBL2103822
LigandBox: D09388
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    25.4100  -19.6700
            2   C8y C    25.4100  -21.0700
            3   C8x C    26.6000  -21.7700
            4   C8x C    27.8600  -21.0700
            5   C8x C    27.8600  -19.6700
            6   C8y C    26.6000  -18.9700
            7   C1x C    24.0800  -19.2500
            8   C1x C    23.2400  -20.3700
            9   O2x O    24.0800  -21.4900
            10  C1y C    26.6000  -17.5700
            11  C1x C    25.9000  -16.3800
            12  C1y C    27.3000  -16.3800
            13  C1b C    28.5153  -15.6849
            14  N1b N    29.7037  -16.3777
            15  C5a C    30.9001  -15.6935
            16  C1b C    32.0813  -16.3819
            17  O5a O    30.9001  -14.2935
            18  C1a C    33.2812  -15.6955
BOND        20
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    2   9 1
            11   10   6 1 #Down
            12   11  12 1
            13   11  10 1
            14   12  10 1
            15   12  13 1 #Up
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   15  17 2
            20   16  18 1

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