KEGG   DRUG: Calcium valproate
Entry
D08667                      Drug                                   
Name
Calcium valproate;
Valproic acid calcium salt;
Convulsofin (TN)
Formula
(C8H15O2)2. Ca
Exact mass
326.177
Mol weight
326.485
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02035  Fatty acid antiepileptic
Remark
ATC code: N03AG01
Chemical structure group: DG00849
Product (DG00849): D00399<US> D00304<US> D00710<JP/US>
Efficacy
Anticonvulsant
Comment
Fatty acid derivative
Valproic acid is contraindicated in patients with known urea cycle disorders [DS:H00164 H00185 H00186 H00187 H01028 H01032]
Target
ABAT [HSA:18] [KO:K13524]
SSADH [HSA:7915] [KO:K00139]
GAD [HSA:2571 2572] [KO:K01580]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG01 Valproic acid
      D08667  Calcium valproate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
     D08667  Calcium valproate
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
     D08667  Calcium valproate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D08667  Calcium valproate
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    SSADH
     D08667  Calcium valproate
  Transferases (EC2)
   Aminotransferase
    ABAT
     D08667  Calcium valproate
  Lyases (EC4)
   Carboxy-lyases
    GAD
     D08667  Calcium valproate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG00849  Valproic acid
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02035  Fatty acid antiepileptic
    DG00849  Valproic acid
Other DBs
CAS: 33433-82-8
PubChem: 96025350
LigandBox: D08667
NIKKAJI: J308.487F
KCF data

ATOM        21
            1   Z   Ca   27.9300  -26.0400 #2+
            2   C6a C    24.8500  -26.5300
            3   O6a O    26.0400  -27.2300 #-
            4   C1c C    23.6600  -27.2300
            5   O6a O    24.8500  -25.1300
            6   C1b C    22.4700  -26.5300
            7   C1b C    23.6600  -28.6300
            8   C1b C    22.4700  -29.3300
            9   C1a C    22.4700  -30.7300
            10  C1b C    21.2800  -27.2300
            11  C1a C    21.2800  -28.6300
            12  C6a C    31.6400  -26.5300
            13  O6a O    30.4500  -27.2300 #-
            14  C1c C    32.8300  -27.2300
            15  O6a O    31.6400  -25.1300
            16  C1b C    34.0200  -26.5300
            17  C1b C    32.8300  -28.6300
            18  C1b C    34.0200  -29.3300
            19  C1a C    34.0200  -30.7300
            20  C1b C    35.2100  -27.2300
            21  C1a C    35.2100  -28.6300
BOND        18
            1     2   3 1
            2     2   4 1
            3     2   5 2
            4     4   6 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     6  10 1
            9    10  11 1
            10   12  13 1
            11   12  14 1
            12   12  15 2
            13   14  16 1
            14   14  17 1
            15   17  18 1
            16   18  19 1
            17   16  20 1
            18   20  21 1

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (13)   
   KEGG ORTHOLOGY (6)   
   KEGG GENES (7)   
All databases (23)   

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