KEGG   DRUG: Phenobarbital diethylamineHelp
Entry
D08356                      Drug                                   

Name
Phenobarbital diethylamine;
Gratusminal (TN)
Formula
C12H12N2O3. C4H11N
Exact mass
305.1739
Mol weight
305.3721
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01567  GABA-A receptor agonist
 DG01904  Barbiturate antiepileptics
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
 DG02891  CYP2B6 inducer
 DG02886  CYP2C9 inducer
 DG02853  CYP3A inducer
Remark
ATC code: N03AA02
Chemical structure group: DG00845
Product (DG00845): D00506<JP> D00701<JP>
Efficacy
Anticonvulsant, Sedative-hypnotic
Comment
Barbiturates
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
CYP induction: CYP3A [HSA:1576 1577 1551]; CYP1A2 [HSA:1544], CYP2B6 [HSA:1555], CYP2C9 [HSA:1559]
Drug interaction
Structure map
map07032  Hypnotics
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AA Barbiturates and derivatives
     N03AA02 Phenobarbital
      D08356  Phenobarbital diethylamine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D08356  Phenobarbital diethylamine
BRITE hierarchy
Other DBs
PubChem: 96025043
LigandBox: D08356
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1z C    19.9500  -18.3400
            2   C8y C    21.1400  -17.6400
            3   C5x C    18.6900  -17.6400
            4   C5x C    19.9500  -19.7400
            5   C1b C    21.1400  -19.0400
            6   C8x C    22.3300  -18.2700
            7   C8x C    21.1400  -16.2400
            8   N1x N    17.5000  -18.3400
            9   O5x O    18.6900  -16.2400
            10  N1x N    18.6900  -20.4400
            11  O5x O    21.1400  -20.4400
            12  C1a C    22.5400  -19.0400
            13  C8x C    23.5900  -17.5700
            14  C8x C    22.3300  -15.4700
            15  C5x C    17.5000  -19.7400
            16  C8x C    23.5900  -16.1700
            17  O5x O    16.3100  -20.4400
            18  C1a C    27.4400  -19.1100
            19  C1b C    28.6524  -18.4100
            20  N1b N    29.8649  -19.1100
            21  C1b C    31.0773  -18.4100
            22  C1a C    32.2897  -19.1100
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   13  16 2
            16   15  17 2
            17   10  15 1
            18   14  16 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1

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