KEGG   DRUG: Fimepinostat
Entry
D11319                      Drug                                   
Name
Fimepinostat (USAN/INN)
Formula
C23H24N8O4S
Exact mass
508.1641
Mol weight
508.56
Structure
Efficacy
Antineoplastic, Histone deacetylase inhibitor
Target
HDAC1 [HSA:3065] [KO:K06067]
HDAC2 [HSA:3066] [KO:K06067]
HDAC3 [HSA:8841] [KO:K11404]
HDAC8 [HSA:55869] [KO:K11405]
HDAC4 [HSA:9759] [KO:K11406]
HDAC5 [HSA:10014] [KO:K11406]
HDAC6 [HSA:10013] [KO:K11407]
HDAC7 [HSA:51564] [KO:K11408]
HDAC9 [HSA:9734] [KO:K11409]
HDAC10 [HSA:83933] [KO:K18671]
PIK3C3 [HSA:5289] [KO:K00914]
  Pathway
hsa00562  Inositol phosphate metabolism
hsa04070  Phosphatidylinositol signaling system
hsa04110  Cell cycle
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C3
     D11319  Fimepinostat (USAN/INN)
  Hydrolases (EC3)
   Histone deacetylase
    HDAC1
     D11319  Fimepinostat (USAN/INN)
    HDAC2
     D11319  Fimepinostat (USAN/INN)
    HDAC3
     D11319  Fimepinostat (USAN/INN)
    HDAC4
     D11319  Fimepinostat (USAN/INN)
    HDAC5
     D11319  Fimepinostat (USAN/INN)
    HDAC6
     D11319  Fimepinostat (USAN/INN)
    HDAC7
     D11319  Fimepinostat (USAN/INN)
    HDAC8
     D11319  Fimepinostat (USAN/INN)
    HDAC9
     D11319  Fimepinostat (USAN/INN)
    HDAC10
     D11319  Fimepinostat (USAN/INN)
Other DBs
CAS: 1339928-25-4
PubChem: 384585297
LinkDB
KCF data

ATOM        36
            1   N5x N    14.4410  -16.5468
            2   C8y C    14.4410  -17.9491
            3   N5x N    15.6554  -18.6503
            4   C8y C    16.8699  -17.9491
            5   C8y C    16.8699  -16.5468
            6   C8y C    15.6554  -15.8456
            7   N1y N    15.6554  -14.4435
            8   C1x C    16.8530  -13.7519
            9   C1x C    16.8528  -12.3495
            10  O2x O    15.6383  -11.6486
            11  C1x C    14.4408  -12.3401
            12  C1x C    14.4409  -13.7424
            13  C8x C    18.2036  -18.3824
            14  C8y C    19.0279  -17.2479
            15  S2x S    18.2036  -16.1135
            16  C8y C    13.2266  -18.6503
            17  C8x C    12.0291  -17.9587
            18  N5x N    10.8146  -18.6598
            19  C8y C    10.8144  -20.0621
            20  C8x C    12.0119  -20.7536
            21  C8x C    13.2264  -20.0526
            22  O2a O     9.5896  -20.7692
            23  C1a C     8.3787  -20.0700
            24  C1b C    20.4008  -17.2479
            25  N1c N    21.1020  -16.0335
            26  C8y C    22.5041  -16.0335
            27  C1a C    20.4105  -14.8361
            28  N5x N    23.2152  -17.2648
            29  C8x C    24.6175  -17.2646
            30  C8y C    25.3186  -16.0501
            31  C8x C    24.6075  -14.8188
            32  N5x N    23.2052  -14.8190
            33  C5a C    26.7113  -16.0500
            34  N1b N    27.4151  -17.2689
            35  O5a O    27.4097  -14.8400
            36  O1b O    28.8146  -17.2687
BOND        40
            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     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14    4  13 1
            15   13  14 2
            16   14  15 1
            17    5  15 1
            18    2  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   19  22 1
            26   22  23 1
            27   14  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 1
            31   26  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   26  32 1
            37   30  33 1
            38   33  34 1
            39   33  35 2
            40   34  36 1

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