KEGG   DRUG: Opicapone
Entry
D10825                      Drug                                   
Name
Opicapone (JAN/USAN/INN);
Ongentys (TN)
Product
ONGENTYS (Amneal Pharmaceuticals LLC), ONGENTYS (Neurocrine Biosciences)
Formula
C15H10Cl2N4O6
Exact mass
411.9977
Mol weight
413.1691
Structure
Class
Neuropsychiatric agent
 DG01967  Antiparkinson agent
  DG02909  COMT inhibitor
Remark
Therapeutic category: 1169
ATC code: N04BX04
Product: D10825<JP/US>
Efficacy
Antiparkinsonian, COMT inhibitor
  Disease
Parkinson's disease [DS:H00057]
Comment
Nitrocactechols
Treatment of Parkinson's disease
Target
COMT [HSA:1312] [KO:K00545]
  Pathway
hsa04728  Dopaminergic synapse
Interaction
Enzyme inhibition: COMT [HSA:1312]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04B DOPAMINERGIC AGENTS
    N04BX Other dopaminergic agents
     N04BX04 Opicapone
      D10825  Opicapone (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Antiparkinson Agents, Other
   Opicapone
    D10825  Opicapone (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D10825  Opicapone (JAN/USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   DG02909  COMT inhibitor
    D10825  Opicapone
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   D10825  Opicapone
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    COMT
     D10825  Opicapone (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10825
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10825
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10825
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10825
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10825
Other DBs
CAS: 923287-50-7
PubChem: 319902625
PDB-CCD: DNI[PDBj]
LinkDB
KCF data

ATOM        27
            1   C8y C    17.2900  -16.1700
            2   C8y C    17.2900  -14.7700
            3   C8x C    16.1000  -14.0700
            4   C8y C    14.8400  -14.7700
            5   C8x C    14.8400  -16.1700
            6   C8y C    16.1000  -16.8700
            7   C8y C    13.6500  -14.0700
            8   O1a O    16.1000  -18.2700
            9   O1a O    18.4800  -16.8700
            10  N2b N    18.4800  -14.0700 #+
            11  O2x O    13.2300  -12.7400
            12  N5x N    11.8300  -12.7400
            13  C8y C    11.4100  -14.0700
            14  N5x N    12.5300  -14.9100
            15  C8y C    10.2200  -16.1700
            16  C8y C    10.2200  -14.7700
            17  C8y C     9.0300  -14.0700
            18  N4y N     7.7700  -14.7700
            19  C8y C     7.7700  -16.1700
            20  C8y C     9.0300  -16.8700
            21  X   Cl    9.0300  -18.2700
            22  C1a C     6.5800  -16.8700
            23  C1a C    11.4100  -16.8700
            24  O3a O     6.5800  -14.0700
            25  X   Cl    9.0300  -12.6700
            26  O3a O    19.6700  -14.7700 #-
            27  O3a O    18.4800  -12.6700
BOND        29
            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     4   7 1
            8     6   8 1
            9     1   9 1
            10    2  10 1
            11    7  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14   7 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   15  20 2
            22   20  21 1
            23   19  22 1
            24   15  23 1
            25   18  24 2
            26   17  25 1
            27   16  13 1
            28   10  26 1
            29   10  27 2

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