KEGG   DRUG: Progabide
Entry
D05621                      Drug                                   

Name
Progabide (USAN/INN);
Gabren (TN)
Formula
C17H16ClFN2O2
Exact mass
334.0884
Mol weight
334.7725
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02037  GABA mimetic antiepileptics
Remark
ATC code: N03AG05
Efficacy
Anticonvulsant, Muscle relaxant
Comment
Fatty acid derivative
Target
GABBR [HSA:2550 9568] [KO:K04615]
GABRA1 [HSA:2554] [KO:K05175]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG05 Progabide
      D05621  Progabide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   GABA (metabotropic)
    GABBR
     D05621  Progabide (USAN/INN)
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABRA1
     D05621  Progabide (USAN/INN)
Other DBs
CAS: 62666-20-0
PubChem: 47207284
ChEMBL: CHEMBL287631
DrugBank: DB00837
LigandBox: D05621
NIKKAJI: J19.587A
KCF data

ATOM        23
            1   C8y C    18.6900  -15.8900
            2   C8x C    18.6900  -17.2900
            3   C8x C    16.2400  -17.2900
            4   C8y C    16.2400  -15.8900
            5   C2c C    17.4300  -15.1900
            6   C8x C    19.8800  -15.1900
            7   C8x C    21.0700  -15.8900
            8   C8y C    21.0700  -17.2900
            9   C8x C    19.8800  -17.9900
            10  C8y C    14.9800  -17.9900
            11  C8x C    13.7900  -17.2900
            12  C8x C    13.7900  -15.8900
            13  C8y C    14.9800  -15.1900
            14  O1a O    14.9800  -13.7900
            15  X   F    14.9800  -19.3900
            16  N2b N    17.4300  -13.7900
            17  C1b C    18.6900  -13.0200
            18  C1b C    19.8800  -13.7200
            19  C1b C    21.0700  -13.0900
            20  C5a C    22.2600  -13.7200
            21  N1a N    23.4500  -13.0900
            22  O5a O    22.2600  -15.1900
            23  X   Cl   22.2600  -17.9900
BOND        24
            1     1   2 1
            2     3   4 1
            3     4   5 1
            4     1   5 1
            5     1   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     2   9 2
            10    3  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    4  13 2
            15   13  14 1
            16   10  15 1
            17    5  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24    8  23 1

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