KEGG   DRUG: Phenobarbital diethylamine
Entry
D08356                      Drug                                   
Name
Phenobarbital diethylamine;
Gratusminal (TN)
Formula
C12H12N2O3. C4H11N
Exact mass
305.1739
Mol weight
305.3721
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01567  GABA-A receptor agonist
 DG03199  Antiepileptic agent
  DG01904  Barbiturate antiepileptic
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
 DG02891  CYP2B6 inducer
 DG02886  CYP2C9 inducer
 DG02853  CYP3A/CYP3A4 inducer
Remark
ATC code: N03AA02
Chemical structure group: DG00845
Product (DG00845): D00506<JP> D00701<JP/US>
Efficacy
Anticonvulsant, Sedative-hypnotic
Comment
Barbiturates
Target
GABR [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
Interaction
CYP induction: CYP3A [HSA:1576 1577 1551]; CYP1A2 [HSA:1544], CYP2B6 [HSA:1555], CYP2C9 [HSA:1559]
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
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01567  GABA-A receptor agonist
   DG00845  Phenobarbital
    D08356  Phenobarbital diethylamine
  DG03199  Antiepileptic agent
   DG01904  Barbiturate antiepileptic
    DG00845  Phenobarbital
     D08356  Phenobarbital diethylamine
 Metabolizing enzyme inducer
  DG01637  CYP1A2 inducer
   DG00845  Phenobarbital
    D08356  Phenobarbital diethylamine
  DG02891  CYP2B6 inducer
   DG00845  Phenobarbital
    D08356  Phenobarbital diethylamine
  DG02886  CYP2C9 inducer
   DG00845  Phenobarbital
    D08356  Phenobarbital diethylamine
  DG02853  CYP3A/CYP3A4 inducer
   DG00845  Phenobarbital
    D08356  Phenobarbital diethylamine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D08356  Phenobarbital diethylamine
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08356
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01567  GABA-A receptor agonist
   DG00845  Phenobarbital
  DG03199  Antiepileptic agent
   DG01904  Barbiturate antiepileptic
    DG00845  Phenobarbital
 Metabolizing enzyme inducer
  DG01637  CYP1A2 inducer
   DG00845  Phenobarbital
  DG02891  CYP2B6 inducer
   DG00845  Phenobarbital
  DG02886  CYP2C9 inducer
   DG00845  Phenobarbital
  DG02853  CYP3A/CYP3A4 inducer
   DG00845  Phenobarbital
Other DBs
PubChem: 96025043
LigandBox: D08356
KCF data

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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Ontology (4)   
   KEGG BRITE (4)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (23)   
   KEGG ORTHOLOGY (7)   
   KEGG GENES (16)   
All databases (33)   

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