Tasimelteon

Entry

D09388                      Drug

Name

Tasimelteon (USAN/INN);
Hetlioz (TN)

Product

HETLIOZ (Vanda Pharmaceuticals)

Formula

C15H19NO2

Exact mass

245.1416

Mol weight

245.3169

Structure

Class

Neuropsychiatric agent
DG01589  Melatonin receptor agonist
Metabolizing enzyme substrate
DG01892  CYP1A2 substrate
DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate

Remark

ATC code:

N05CH03

Product:

D09388<US>

Efficacy

Hypnotic, Melatonin receptor agonist

Comment

Treatment of non-24-hour sleep-wake disorder

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

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 Promoting Agents
   Tasimelteon
    D09388  Tasimelteon (USAN/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
  DG01589  Melatonin receptor agonist
   D09388  Tasimelteon
Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D09388  Tasimelteon
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D09388  Tasimelteon
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
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
  D09388

Other DBs

CAS:	609799-22-6

PubChem:

96026068

ChEBI:

79042

LigandBox:

D09388

KCF data

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