KEGG   DRUG: OpicaponeHelp
Entry
D10825                      Drug                                   

Name
Opicapone (JAN/INN);
Ongentys (TN)
Formula
C15H10Cl2N4O6
Exact mass
411.9977
Mol weight
413.1691
Structure
Mol fileKCF fileDB search
Remark
ATC code: N04BX04
Efficacy
Antiparkinsonian, COMT inhibitor
Target
COMT [HSA:1312] [KO:K00545]
  Pathway
hsa04728  Dopaminergic synapse
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/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    COMT
     D10825  Opicapone (JAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10825
BRITE hierarchy
Other DBs
PubChem: 319902625
ChEMBL: CHEMBL1089318
LinkDB All DBs
KCF data Show

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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