KEGG   DRUG: Rilmazafone
Entry
D08481                      Drug                                   

Name
Rilmazafone (INN)
Formula
C21H20Cl2N6O3
Exact mass
474.0974
Mol weight
475.3279
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01836  Non-benzodiazepine sedative-hypnotics
 DG01567  GABA-A receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02970  CES substrate
Remark
Chemical structure group: DG01307
Product (DG01307): D01564<JP>
Efficacy
Hypnotic
Comment
Benzodiazepines
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Metabolism
Enzyme: CES [HSA:1066 8824 23491 221223], CYP3A4 [HSA:1576]
Interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D08481  Rilmazafone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08481
Other DBs
CAS: 99593-25-6
PubChem: 96025167
ChEMBL: CHEMBL2107197
LigandBox: D08481
NIKKAJI: J22.811G
LinkDB
KCF data

ATOM        32
            1   N4y N    24.7800  -18.4100
            2   C8y C    23.5900  -19.2500
            3   N5x N    24.0100  -20.5800
            4   C8y C    25.4100  -20.5800
            5   N5x N    25.9000  -19.2500
            6   C8y C    24.7800  -17.0100
            7   C8y C    25.9700  -16.3100
            8   C8x C    25.9700  -14.9100
            9   C8y C    24.7800  -14.2100
            10  C8x C    23.5200  -14.9100
            11  C8x C    23.5200  -16.3100
            12  C1b C    22.4000  -18.5500
            13  C5a C    26.2500  -21.7000
            14  O5a O    25.6900  -23.0300
            15  C1a C    28.4900  -22.8900
            16  N1c N    27.6500  -21.7000
            17  C1a C    28.2100  -20.4400
            18  X   Cl   24.7800  -12.8100
            19  C5a C    27.1600  -17.0100
            20  O5a O    27.1600  -18.4100
            21  C8y C    28.3500  -16.3800
            22  C8x C    29.6100  -17.0800
            23  C8x C    30.8000  -16.3800
            24  C8x C    30.8000  -14.9800
            25  C8x C    29.6100  -14.2800
            26  C8y C    28.3500  -14.9800
            27  N1b N    21.2100  -19.3200
            28  C5a C    19.9500  -18.6200
            29  O5a O    19.9500  -17.2200
            30  C1b C    18.7600  -19.3900
            31  N1a N    17.5700  -18.6900
            32  X   Cl   27.1600  -14.2800
BOND        34
            1     4  13 1
            2     1   6 1
            3    16  17 1
            4     9  18 1
            5     7  19 1
            6    19  20 2
            7     2   3 2
            8    19  21 1
            9     1   2 1
            10    3   4 1
            11    4   5 2
            12    5   1 1
            13    2  12 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  25 1
            18   25  26 2
            19   26  21 1
            20    6   7 2
            21   12  27 1
            22    7   8 1
            23   27  28 1
            24    8   9 2
            25   28  29 2
            26    9  10 1
            27   28  30 1
            28   10  11 2
            29   30  31 1
            30   11   6 1
            31   26  32 1
            32   13  14 2
            33   15  16 1
            34   16  13 1

» Japanese version   » Back

KEGG   DRUG: Rilmazafone hydrochloride hydrate
Entry
D01564                      Drug                                   

Name
Rilmazafone hydrochloride hydrate (JP18);
Rilmazafone hydrochloride dihydrate;
Rilmazafone hydrochloride;
Rhythmy (TN)
Formula
C21H20Cl2N6O3. 2H2O. HCl
Exact mass
546.0952
Mol weight
547.8194
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01836  Non-benzodiazepine sedative-hypnotics
 DG01567  GABA-A receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02970  CES substrate
Remark
Therapeutic category: 1129
Chemical structure group: DG01307
Product (DG01307): D01564<JP>
Efficacy
Sedative-hypnotic
Comment
Benzodiazepines
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Metabolism
Enzyme: CES [HSA:1066 8824 23491 221223], CYP3A4 [HSA:1576]
Interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   112  Hypnotics and sedatives, anxiolytics
    1129  Others
     D01564  Rilmazafone hydrochloride hydrate (JP18)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D01564  Rilmazafone hydrochloride hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01564  Rilmazafone hydrochloride hydrate
  D01564  Rilmazafone hydrochloride tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01564
Other DBs
PubChem: 7848627
ChEBI: 32100
LigandBox: D01564
LinkDB
KCF data

ATOM        35
            1   N4y N    31.6779  -17.6593
            2   C8y C    30.5348  -18.4801
            3   N5x N    30.9600  -19.8196
            4   C8y C    32.3658  -19.8243
            5   N5x N    32.8005  -18.4879
            6   C8y C    31.6784  -16.2592
            7   C8y C    32.8916  -15.5668
            8   C8x C    32.8987  -14.1630
            9   C8y C    31.6926  -13.4514
            10  C8x C    30.4722  -14.1506
            11  C8x C    30.4652  -15.5546
            12  C1b C    29.3037  -17.8094
            13  C5a C    33.1887  -20.9594
            14  O5a O    32.6102  -22.2412
            15  C1a C    35.4036  -22.0964
            16  N1c N    34.5854  -20.9570
            17  C1a C    35.1593  -19.6834
            18  X   Cl   31.7016  -12.0545
            19  C5a C    34.0978  -16.2714
            20  O5a O    34.0909  -17.6681
            21  C8y C    35.3111  -15.5790
            22  C8x C    36.5126  -16.2896
            23  C8x C    37.7258  -15.5973
            24  C8x C    37.7329  -14.2004
            25  C8x C    36.5267  -13.4959
            26  C8y C    35.3135  -14.1882
            27  N1b N    28.1104  -18.5353
            28  C5a C    26.8850  -17.8648
            29  O5a O    26.8529  -16.4684
            30  C1b C    25.6915  -18.5909
            31  N1a N    24.4661  -17.9204
            32  X   Cl   34.0978  -13.4828
            33  X   Cl   40.4905  -20.0243
            34  O0  O    41.0440  -17.4895
            35  O0  O    41.0440  -17.4895
BOND        34
            1     4  13 1
            2     1   6 1
            3    16  17 1
            4     9  18 1
            5     7  19 1
            6    19  20 2
            7     2   3 2
            8    19  21 1
            9     1   2 1
            10    3   4 1
            11    4   5 2
            12    5   1 1
            13    2  12 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  25 1
            18   25  26 2
            19   26  21 1
            20    6   7 2
            21   12  27 1
            22    7   8 1
            23   27  28 1
            24    8   9 2
            25   28  29 2
            26    9  10 1
            27   28  30 1
            28   10  11 2
            29   30  31 1
            30   11   6 1
            31   26  32 1
            32   13  14 2
            33   15  16 1
            34   16  13 1
BRACKET     1    38.7800  -18.4800   38.7800  -16.5200
            1    41.5800  -16.5200   41.5800  -18.4800
            1  2
 ORIGINAL  1   34
 REPEAT    1   35

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