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KEGG   DRUG: Olutasidenib
Entry
D12483                      Drug                                   
Name
Olutasidenib (USAN/INN);
Rezlidhia (TN)
Product
REZLIDHIA (Rigel Pharmaceuticals)
Formula
C18H15ClN4O2
Exact mass
354.0884
Mol weight
354.79
Structure
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Unclassified
 DG03328  Isocitrate dehydrogenase inhibitor
Remark
ATC code: L01XM03
Product: D12483<US>
Efficacy
Antineoplastic, Isocitrate dehydrogenase 1 inhibitor
  Disease
Acute myeloid leukemia (susceptible IDH1 mutation) [DS:H00003]
Comment
Treatment of acute myeloid leukemia (AML) or myelodysplastic syndrome (MDS) with mutations in the IDH1 gene
Target
IDH1* [HSA_VAR:3417v1] [HSA:3417] [KO:K00031]
  Pathway
hsa00020  Citrate cycle (TCA cycle)
hsa01210  2-Oxocarboxylic acid metabolism
hsa04146  Peroxisome
hsa05230  Central carbon metabolism in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
     L01XM03 Olutasidenib
      D12483  Olutasidenib (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   IDH1 Enzyme Inhibitors
    Olutasidenib
     D12483  Olutasidenib (USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D12483  Olutasidenib
 Unclassified
  DG03328  Isocitrate dehydrogenase inhibitor
   D12483  Olutasidenib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IDH1* [HSA_VAR:3417v1]
     D12483  Olutasidenib (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12483
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12483
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12483
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12483
Other DBs
CAS: 1887014-12-1
PubChem: 497620896
PDB-CCD: PWV[PDBj]
LinkDB
KCF data

ATOM        25
            1   C8x C    12.6148  -13.8961
            2   C8y C    12.6148  -15.2990
            3   C8x C    13.8297  -16.0005
            4   C8y C    15.0447  -15.2990
            5   C8y C    15.0447  -13.8961
            6   C8x C    13.8297  -13.1947
            7   C8x C    16.2596  -16.0005
            8   C8y C    17.4745  -15.2990
            9   C8y C    17.4745  -13.8961
            10  N4x N    16.2596  -13.1947
            11  O5x O    18.6746  -13.2032
            12  C1c C    18.6746  -15.9919
            13  N1b N    19.8654  -15.3045
            14  C8y C    21.0587  -15.9935
            15  C8x C    21.0587  -17.4032
            16  C8x C    22.2736  -18.1046
            17  C8y C    23.4885  -17.4032
            18  N4y N    23.4885  -15.9936
            19  C8y C    22.2736  -15.2921
            20  O5x O    22.2737  -13.8963
            21  C1a C    24.6996  -15.2944
            22  C3b C    24.7026  -18.1041
            23  N3a N    25.9176  -18.8056
            24  C1a C    18.6747  -17.4031
            25  X   Cl   11.3999  -16.0005
BOND        27
            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     4   7 1
            8     8   7 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 2
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   19  20 2
            23   18  21 1
            24   17  22 1
            25   22  23 3
            26   12  24 1 #Up
            27    2  25 1

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