KEGG   DRUG: Sodium dichloroacetate
Entry
D05857                      Drug                                   
Name
Sodium dichloroacetate (USAN);
Ceresine (TN)
Formula
C2HCl2O2. Na
Exact mass
149.9251
Mol weight
150.9239
Structure
Simcomp
Efficacy
Antineoplastic, Nootropic
Comment
Treatment of neurologic injury (pyruvate dehydrogenase activator)
Target
PDK [HSA:5164 5165 5166] [KO:K00898]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    PDK
     D05857  Sodium dichloroacetate (USAN)
Other DBs
CAS: 2156-56-1
PubChem: 47207518
LigandBox: D05857
NIKKAJI: J22.495B
LinkDB
KCF data

ATOM        7
            1   X   Cl   12.6000  -13.0200
            2   C1c C    13.7900  -13.7200
            3   C6a C    15.0500  -13.0200
            4   O6a O    16.2400  -13.7200 #-
            5   X   Cl   13.7900  -15.1200
            6   O6a O    15.0500  -11.6200
            7   Z   Na   18.2000  -13.7200 #+
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 1
            5     3   6 2

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