KEGG   DRUG: Vorasidenib
Entry
D11834                      Drug                                   
Name
Vorasidenib (USAN/INN)
Formula
C14H13ClF6N6
Exact mass
414.0794
Mol weight
414.74
Structure
Class
Antineoplastic
 DG03328  Isocitrate dehydrogenase inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG02919  CYP2B6 substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01XM04
Chemical structure group: DG03113
Product (DG03113): D11835<JP/US>
Efficacy
Antineoplastic, Isocitrate dehydrogenase inhibitor
Target
IDH [HSA:3417 3418] [KO:K00031]
  Pathway
hsa00020  Citrate cycle (TCA cycle)
hsa04146  Peroxisome
Metabolism
Enzyme: CYP1A2 [HSA:1544]; CYP2B6 [HSA:1555], CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XM Isocitrate dehydrogenase (IDH) inhibitors
     L01XM04 Vorasidenib
      D11834  Vorasidenib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03328  Isocitrate dehydrogenase inhibitor
   DG03113  Vorasidenib
    D11834  Vorasidenib
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
  DG02919  CYP2B6 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
  DG02918  CYP2C8 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
  DG01642  CYP2C9 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
  DG01639  CYP2C19 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
  DG01644  CYP2D6 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
  DG01633  CYP3A/CYP3A4 substrate
   DG03113  Vorasidenib
    D11834  Vorasidenib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IDH
     D11834  Vorasidenib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11834
Drug groups [BR:br08330]
 Antineoplastic
  DG03328  Isocitrate dehydrogenase inhibitor
   DG03113  Vorasidenib
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG03113  Vorasidenib
  DG02919  CYP2B6 substrate
   DG03113  Vorasidenib
  DG02918  CYP2C8 substrate
   DG03113  Vorasidenib
  DG01642  CYP2C9 substrate
   DG03113  Vorasidenib
  DG01639  CYP2C19 substrate
   DG03113  Vorasidenib
  DG01644  CYP2D6 substrate
   DG03113  Vorasidenib
  DG01633  CYP3A/CYP3A4 substrate
   DG03113  Vorasidenib
Other DBs
CAS: 1644545-52-7
PubChem: 433774509
PDB-CCD: 9UO[PDBj]
LinkDB
KCF data

ATOM        27
            1   C8y C    18.6200  -16.9400
            2   N5x N    18.6200  -15.5400
            3   C8y C    19.8100  -14.8400
            4   N5x N    21.0700  -15.5400
            5   C8y C    21.0700  -16.9400
            6   N5x N    19.8100  -17.6400
            7   N1b N    22.2600  -17.6400
            8   C1c C    23.4500  -16.9400
            9   N1b N    17.4300  -17.6400
            10  C1c C    16.2400  -16.9400
            11  C1a C    15.0500  -17.6400
            12  C1d C    16.2400  -15.5400
            13  C8y C    19.8100  -13.4400
            14  N5x N    18.6200  -12.7400
            15  C8y C    18.6200  -11.3400
            16  C8x C    19.8100  -10.6400
            17  C8x C    21.0700  -11.3400
            18  C8x C    21.0700  -12.7400
            19  X   Cl   17.4300  -10.6400
            20  X   F    15.0500  -14.8400
            21  X   F    17.4300  -14.8400
            22  X   F    15.0500  -16.2400
            23  C1a C    24.6400  -17.6400
            24  C1d C    23.4500  -15.5400
            25  X   F    24.6400  -14.8400
            26  X   F    22.2600  -14.8400
            27  X   F    24.6400  -16.2400
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1 #Down
            12   10  12 1
            13    3  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   15  19 1
            21   12  20 1
            22   12  21 1
            23   12  22 1
            24    8  23 1 #Up
            25    8  24 1
            26   24  25 1
            27   24  26 1
            28   24  27 1

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