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: 
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]
  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 [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
     Valproic acid [ATC:N03AG01]
      D08667  Calcium valproate
 Enzymes
  Transferases
   histone acetyltransferase [HSA:203611 253175 9085 9426] [KO:K00653]
    Valproic acid [ATC:N03AG01]
     D08667  Calcium valproate
   GABA transaminase [HSA:18] [KO:K13524]
    Valproic acid [ATC:N03AG01]
     D08667  Calcium valproate
  Hydrolases
   histone deacetylase [HSA:3065 3066 8841 9759 10014 10013 51564 55869 9734 83933] [KO:K06067 K11404 K11405 K11406 K11407 K11408 K11409]
    Valproic acid [ATC:N03AG01]
     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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