KEGG   DRUG: Pexidartinib hydrochloride
Entry
D11271                      Drug                                   
Name
Pexidartinib hydrochloride (JAN/USAN);
Turalio (TN)
Product
TURALIO (Daiichi Sankyo)
Formula
C20H15ClF3N5. HCl
Exact mass
453.0735
Mol weight
454.2758
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03182  UGT1A4 substrate
Remark
ATC code: L01EX15
Chemical structure group: DG02960
Product (DG02960): D11271<US>
Efficacy
Antineoplastic, Macrophage colony-stimulating factor receptor antagonist
Comment
Treatment of tenosynovial giant cell tumor
Target
CSF1R (FMS, CD115) [HSA:1436] [KO:K05090]
KIT (CD117) [HSA:3815] [KO:K05091]
FLT3* (CD135) [HSA_VAR:2322v2] [HSA:2322] [KO:K05092]
  Pathway
hsa04010  MAPK signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04151  PI3K-Akt signaling pathway
hsa04380  Osteoclast differentiation
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT1A4 [HSA:54657]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX15 Pexidartinib
      D11271  Pexidartinib hydrochloride (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Pexidartinib
    D11271  Pexidartinib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG02960  Pexidartinib
     D11271  Pexidartinib hydrochloride
  DG02924  UGT substrate
   DG03182  UGT1A4 substrate
    DG02960  Pexidartinib
     D11271  Pexidartinib hydrochloride
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    KIT (CD117)
     D11271  Pexidartinib hydrochloride (JAN/USAN) <US>
    FLT3* (CD135) [HSA_VAR:2322v2]
     D11271  Pexidartinib hydrochloride (JAN/USAN) <US>
 Cytokines and receptors
  Cytokine receptors
   CSF and other factor receptors
    CSF1R (FMS, CD115)
     D11271  Pexidartinib hydrochloride (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11271
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11271
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11271
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG02960  Pexidartinib
  DG02924  UGT substrate
   DG03182  UGT1A4 substrate
    DG02960  Pexidartinib
Other DBs
CAS: 2040295-03-0
PubChem: 384585249
LinkDB
KCF data

ATOM        30
            1   C8x C    22.5023  -13.8367
            2   C8y C    22.5023  -15.2344
            3   C8x C    23.7601  -15.9332
            4   N5x N    24.9481  -15.2344
            5   C8y C    24.9481  -13.8367
            6   C8x C    23.7601  -13.1379
            7   C1d C    26.1361  -13.1379
            8   X   F    27.3940  -12.4391
            9   X   F    25.4373  -11.9499
            10  X   F    26.8350  -14.3259
            11  C1b C    21.3143  -15.9332
            12  N1b N    20.1263  -15.2344
            13  C8y C    18.9383  -15.9332
            14  N5x N    17.7503  -15.2344
            15  C8x C    16.4924  -15.9332
            16  C8y C    16.4924  -17.3308
            17  C8x C    17.6804  -18.0297
            18  C8x C    18.9383  -17.3308
            19  C1b C    15.3044  -18.0297
            20  C8y C    14.1164  -17.3308
            21  C8x C    14.1164  -15.9332
            22  N4x N    12.7886  -15.4440
            23  C8y C    11.9500  -16.5621
            24  C8y C    12.7187  -17.7501
            25  N5x N    10.5524  -16.7019
            26  C8x C     9.9234  -17.9598
            27  C8y C    10.7620  -19.1478
            28  C8x C    12.1597  -19.0080
            29  X   Cl   10.1331  -20.3358
            30  X   Cl   26.3900  -19.8800
BOND        32
            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     7   9 1
            10    7  10 1
            11    2  11 1
            12   11  12 1
            13   12  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   16  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   20  24 1
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   24  28 2
            32   27  29 1

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