KEGG   DRUG: Pimitespib
Entry
D11920                      Drug                                   
Name
Pimitespib (JAN);
Jeselhy (TN)
Formula
C25H26N8O
Exact mass
454.2230
Mol weight
454.53
Structure
Class
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG02864  SLC47A1 inhibitor
 DG03110  SLC47A2 inhibitor
Remark
Therapeutic category: 4291
Product: D11920<JP>
Efficacy
Antineoplastic, Hsp 90 inhibitor
Target
HSP90 [HSA:3320 3326 7184] [KO:K04079 K09487]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04915  Estrogen signaling pathway
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: SLC47A1 [HSA:55244], SLC47A2 [HSA:146802]
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11920  Pimitespib (JAN)
Drug groups [BR:br08330]
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   D11920  Pimitespib
 Transporter inhibitor
  DG02864  SLC47A1 inhibitor
   D11920  Pimitespib
  DG03110  SLC47A2 inhibitor
   D11920  Pimitespib
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Genetic information processing
   Chaperone and folding catalyst
    HSP90
     D11920  Pimitespib (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11920
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11920
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11920
 Drug transporters
  D11920
Other DBs
PubChem: 497620333
LinkDB
KCF data

ATOM        34
            1   C8x C    11.8663  -12.0687
            2   C8x C    13.2476  -11.8010
            3   C8y C    14.1867  -12.8393
            4   C8y C    13.8142  -14.1389
            5   C8y C    12.4394  -14.4763
            6   N5x N    11.5003  -13.4380
            7   C8y C    14.4873  -15.3423
            8   N5x N    13.6013  -16.4080
            9   N4y N    12.2889  -15.8961
            10  C8y C    11.0855  -16.5692
            11  C8x C    11.0741  -17.9697
            12  C8x C     9.9471  -18.7125
            13  C8y C     8.6916  -18.0548
            14  C8x C     8.7027  -16.6479
            15  C8y C     9.8996  -15.9051
            16  C5a C     7.5579  -18.7215
            17  O5a O     7.5468  -20.1285
            18  N1a N     6.3023  -18.0638
            19  C1b C     9.8410  -14.5046
            20  C1a C     8.5790  -13.7772
            21  C1c C    15.9071  -15.4928
            22  C1a C    16.5169  -16.7723
            23  C1a C    16.7171  -14.3638
            24  N4y N    15.5616  -12.5019
            25  C8x C    16.1431  -11.1830
            26  N5x N    17.5629  -11.3335
            27  C8y C    17.8306  -12.7148
            28  C8x C    16.6337  -13.4576
            29  C8y C    19.1431  -13.2267
            30  C8x C    20.2703  -12.4903
            31  N5x N    21.3424  -13.4460
            32  N4y N    20.8241  -14.6888
            33  C8x C    19.4108  -14.6080
            34  C1a C    21.5669  -15.8857
BOND        38
            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     7   8 2
            9     8   9 1
            10    5   9 1
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   16  17 2
            20   16  18 1
            21   15  19 1
            22   19  20 1
            23    7  21 1
            24   21  22 1
            25   21  23 1
            26    3  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   24  28 1
            32   27  29 1
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 1
            37   29  33 2
            38   32  34 1

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