KEGG   DRUG: D08667Help
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
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiepileptic
Remark
ATC code: 
Drug group: 
Comment
Valproic acid is contraindicated in patients with known urea cycle disorders [DS:H00164 H00185 H00186 H00187 H01028 H01032]
Target
GABA transaminase inhibitor [HSA:18] [KO:K13524];
calcium channel T type blocker [HSA:8911 8912 8913] [KO:K04856 K04855 K04854];
histone acetyltransferase inhibitor [HSA:203611 253175 9085 9426] [KO:K00653];
histone deacetylases (HDACs) inhibitor [HSA:3065 3066 8841 9759 10014 10013 51564 55869 9734 83933] [KO:K06067 K11404 K11406 K11407 K11408 K11405 K11409 K18671]
  Pathway
hsa00250  Alanine, aspartate and glutamate metabolism
hsa00280  Valine, leucine and isoleucine degradation
hsa00410  beta-Alanine metabolism
hsa00640  Propanoate metabolism
hsa00650  Butanoate metabolism
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04727  GABAergic synapse  
 
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Interaction
Genomic biomarker: (1) NAGS [HSA:162417], CPS [HSA:1373], ASS [HSA:445], OTC [HSA:5009], ASL [HSA:435], ARG [HSA:383 384], (2) POLG [HSA:5428]
Drug interaction
Structure map
Anticonvulsants
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
USP drug classification [BR:br08302]
 Anticonvulsants
  Gamma-aminobutyric Acid (GABA) Augmenting Agents
   Valproate
    D08667  Calcium valproate
 Antimigraine Agents
  Prophylactic
   Valproic acid
    D08667  Calcium valproate
 Bipolar Agents
  Mood Stabilizers
   Valproic acid
    D08667  Calcium valproate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel T type
     Valproic acid
      D08667  Calcium valproate
 Enzymes
  Transferases
   histone acetyltransferase
    Valproic acid
     D08667  Calcium valproate
   GABA transaminase
    Valproic acid
     D08667  Calcium valproate
  Hydrolases
   histone deacetylase
    Valproic acid
     D08667  Calcium valproate
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Valproic acid
    D08667  Calcium valproate
  CYP3A4
   Valproic acid
    D08667  Calcium valproate
BRITE hierarchy
Other DBs
CAS: 
33433-82-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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