KEGG   DRUG: Ganaxolone
Entry
D04300                      Drug                                   
Name
Ganaxolone (USAN/INN);
Ztalmy (TN)
Product
Formula
C22H36O2
Exact mass
332.2715
Mol weight
332.52
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
ATC code: N03AX27
Product: D04300<US>
Efficacy
Antiepileptic, Antimigraine
  Disease
Seizures associated with cyclin-dependent kinase-like 5 deficiency disorder [DS:H01819]
Comment
Allopregnanolone [CPD:C15484] analog
Treatment of epilepsy and migraine
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP2B6 [HSA:1555], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AX Other antiepileptics
     N03AX27 Ganaxolone
      D04300  Ganaxolone (USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   D04300  Ganaxolone
  DG01639  CYP2C19 substrate
   D04300  Ganaxolone
  DG01644  CYP2D6 substrate
   D04300  Ganaxolone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D04300  Ganaxolone
  DG02925  CYP3A5 substrate
   D04300  Ganaxolone
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D04300  Ganaxolone (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04300
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04300
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04300
Other DBs
CAS: 38398-32-2
PubChem: 47206230
ChEBI: 177658
LigandBox: D04300
NIKKAJI: J805.191G
LinkDB
KCF data

ATOM        24
            1   C1x C    38.1743  -26.7423
            2   C1z C    38.1743  -28.1094
            3   C1x C    39.3363  -28.7930
            4   C1y C    40.5668  -28.1094
            5   C1z C    40.5668  -26.7423
            6   C1x C    39.3363  -26.0587
            7   C1x C    41.7288  -28.7930
            8   C1x C    42.8909  -28.1094
            9   C1y C    42.8909  -26.7423
            10  C1y C    41.7288  -26.0587
            11  C1y C    44.1213  -26.0587
            12  C1z C    44.1213  -24.6916
            13  C1x C    42.8909  -24.0080
            14  C1x C    41.7288  -24.6916
            15  C1a C    40.5668  -25.3751
            16  C1a C    44.1213  -23.3244
            17  C1a C    36.8071  -28.1094
            18  O1a O    37.8325  -29.4082
            19  C1x C    46.5138  -26.0587
            20  C1x C    46.5138  -24.6916
            21  C1y C    45.2834  -24.0080
            22  C5a C    45.2666  -22.6410
            23  C1a C    44.0870  -21.9792
            24  O5a O    46.4544  -21.9354
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16    5  15 1 #Up
            17   12  16 1 #Up
            18    2  17 1 #Up
            19    2  18 1 #Down
            20   11  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1 #Up
            24   22  23 1
            25   22  24 2
            26   21  12 1
            27   12  11 1

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