KEGG   DRUG: DexpramipexoleHelp
Entry
D09886                      Drug                                   

Name
Dexpramipexole (USAN/INN)
Formula
C10H17N3S
Exact mass
211.1143
Mol weight
211.3271
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01331
Efficacy
Dopamine receptor agonist
Comment
R(+) enantiomer of Pramipexole [DR:D05575]
Treatment of amyotrophic lateral sclerosis (ALS)
Target
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD
     D09886  Dexpramipexole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 104632-28-2
PubChem: 135626638
ChEMBL: CHEMBL249420
LigandBox: D09886
LinkDB All DBs
KCF data Show

ATOM        14
            1   C1y C    18.6900  -21.0700
            2   C1x C    18.6900  -22.4700
            3   C1x C    19.9024  -23.1700
            4   C8y C    21.1149  -22.4700
            5   C8y C    21.1149  -21.0700
            6   C1x C    19.9024  -20.3700
            7   N5x N    22.4464  -22.9026
            8   C8y C    23.2693  -21.7700
            9   S2x S    22.4464  -20.6374
            10  N1a N    24.6400  -21.7700
            11  N1b N    17.4776  -20.3700
            12  C1b C    16.2821  -21.0604
            13  C1b C    15.0947  -20.3749
            14  C1a C    13.9035  -21.0629
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    1  11 1 #Up
            13   11  12 1
            14   12  13 1
            15   13  14 1

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