KEGG   DRUG: Dexpramipexole dihydrochlorideHelp
Entry
D09887                      Drug                                   

Name
Dexpramipexole dihydrochloride (USAN)
Formula
C10H17N3S. 2HCl. H2O
Exact mass
301.0782
Mol weight
302.2642
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
     D09887  Dexpramipexole dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 908244-04-2
PubChem: 135626639
ChEMBL: CHEMBL2105687
LigandBox: D09887
KCF data Show

ATOM        17
            1   C1y C    27.0900  -28.2100
            2   C1x C    27.0900  -29.6800
            3   C1x C    28.3500  -30.3800
            4   C8y C    29.5400  -29.6800
            5   C8y C    29.5400  -28.2100
            6   C1x C    28.3500  -27.5100
            7   N5x N    30.8700  -30.1000
            8   C8y C    31.7100  -28.9800
            9   S2x S    30.8700  -27.7900
            10  N1a N    33.1100  -28.9800
            11  N1b N    25.9000  -27.5100
            12  C1b C    24.7100  -28.2100
            13  C1b C    23.5200  -27.5100
            14  C1a C    22.3300  -28.2100
            15  X   Cl   23.1000  -32.2700
            16  O0  O    27.5100  -32.2000
            17  X   Cl   23.1000  -32.2700
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
BRACKET     1    21.8400  -32.7600   21.8400  -31.6400
            1    23.8000  -31.6400   23.8000  -32.7600
            1  2
 ORIGINAL  1   15
 REPEAT    1   17

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