KEGG   DRUG: Dordaviprone hydrochloride
Entry
D12734                      Drug                                   
Name
Dordaviprone hydrochloride (JAN/USAN);
Dordaviprone dihydrochloride;
Modeyso (TN)
Product
Formula
C24H26N4O. 2HCl
Exact mass
458.1640
Mol weight
459.41
Structure
Class
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
Chemical structure group: DG03280
Product (DG03280): D12734<US>
Efficacy
Antineoplastic
  Disease
Diffuse midline glioma (H3 K27M mutation)
Target
CLPP [HSA:8192] [KO:K01358]
DRD2 [HSA:1813] [KO:K04145]
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2B6 [HSA:1555], CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2D6 [HSA:1565], CYP3A5 [HSA:1577]
Interaction
Brite
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG03280  Dordaviprone
    D12734  Dordaviprone hydrochloride
  DG02918  CYP2C8 substrate
   DG03280  Dordaviprone
    D12734  Dordaviprone hydrochloride
  DG01642  CYP2C9 substrate
   DG03280  Dordaviprone
    D12734  Dordaviprone hydrochloride
  DG01644  CYP2D6 substrate
   DG03280  Dordaviprone
    D12734  Dordaviprone hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03280  Dordaviprone
     D12734  Dordaviprone hydrochloride
  DG02925  CYP3A5 substrate
   DG03280  Dordaviprone
    D12734  Dordaviprone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D12734  Dordaviprone hydrochloride (JAN/USAN) <US>
 Peptidases and inhibitors
  Serine peptidases
   ClpP endopeptidase family
    CLPP
     D12734  Dordaviprone hydrochloride (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12734
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12734
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12734
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG03280  Dordaviprone
  DG02918  CYP2C8 substrate
   DG03280  Dordaviprone
  DG01642  CYP2C9 substrate
   DG03280  Dordaviprone
  DG01644  CYP2D6 substrate
   DG03280  Dordaviprone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03280  Dordaviprone
  DG02925  CYP3A5 substrate
   DG03280  Dordaviprone
Other DBs
CAS: 1638178-82-1
PubChem: 497621147
LinkDB
KCF data

ATOM        31
            1   C8y C    18.6602  -16.5636
            2   C8y C    18.6602  -15.1658
            3   C8y C    19.8483  -14.4669
            4   N4y N    21.1063  -15.1658
            5   C8y C    21.1063  -16.5636
            6   N4y N    19.8483  -17.2625
            7   C1x C    17.4721  -17.2625
            8   C1x C    16.2141  -16.5636
            9   N1y N    16.2141  -15.1658
            10  C1x C    17.4721  -14.4669
            11  C1b C    15.0260  -14.4669
            12  C8y C    13.8379  -15.1658
            13  C8x C    13.8379  -16.5636
            14  C8x C    12.5799  -17.2625
            15  C8x C    11.3918  -16.5636
            16  C8x C    11.3918  -15.1658
            17  C8x C    12.5799  -14.4669
            18  O5x O    19.8483  -13.0692
            19  C1b C    22.2944  -14.4669
            20  C8y C    23.4825  -15.1658
            21  C8y C    24.6706  -14.4669
            22  C8x C    25.8587  -15.1658
            23  C8x C    25.8587  -16.5636
            24  C8x C    24.7405  -17.2625
            25  C8x C    23.4825  -16.5636
            26  C1a C    24.6706  -13.0692
            27  N2x N    22.1547  -17.4721
            28  C1x C    21.5257  -18.8000
            29  C1x C    20.1279  -18.6602
            30  X   Cl   27.7200  -17.4300
            31  X   Cl   27.7200  -18.8300
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20    3  18 2
            21    4  19 1
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   21  26 1
            30    5  27 2
            31   27  28 1
            32   28  29 1
            33    6  29 1

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