KEGG   DRUG: D08356Help
Entry
D08356                      Drug                                   

Name
Phenobarbital diethylamine;
Gratusminal (TN)
Formula
C12H12N2O3. C4H11N
Exact mass
305.1739
Mol weight
305.3721
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Hypnotic;
Antiepileptic;
Anticonvulsant
Remark
ATC code: 
Comment
Barbiturates
Target
GABAA-receptor (picrotoxin binding site) agonist [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
Metabolism
Enzyme: CYP2C19 [HSA:1557], CYP3A [HSA:1576 1577 1551]
Interaction
CYP induction: CYP1A2 [HSA:1544], CYP2B6 [HSA:1555], CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Transporter induction: ABCB1 [HSA:5243]
Drug interaction
Structure map
Hypnotics
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
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (picrotoxin binding site) [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879]  [KO:K05175 K05176 K05177 K05178 K05179 K05180 K05181 K05182 K05183 K05184 K05185 K05186 K05187 K05188 K05189 K05192]
     Phenobarbital [ATC:N03AA02]
      D08356  Phenobarbital diethylamine
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
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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