KEGG   DRUG: Tinostamustine
Entry
D11182                      Drug                                   
Name
Tinostamustine (USAN/INN)
Formula
C19H28Cl2N4O2
Exact mass
414.1589
Mol weight
415.3572
Structure
Efficacy
Antineoplastic, Alkylating agent, Histone deacetylase inhibitor
Target
DNA
HDAC1 [HSA:3065] [KO:K06067]
HDAC2 [HSA:3066] [KO:K06067]
HDAC3 [HSA:8841] [KO:K11404]
HDAC6 [HSA:10013] [KO:K11407]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC1
     D11182  Tinostamustine (USAN/INN)
    HDAC2
     D11182  Tinostamustine (USAN/INN)
    HDAC3
     D11182  Tinostamustine (USAN/INN)
    HDAC6
     D11182  Tinostamustine (USAN/INN)
Other DBs
CAS: 1236199-60-2
PubChem: 376219106
LinkDB
KCF data

ATOM        27
            1   C8y C    15.3081  -15.6592
            2   N1c N    14.1846  -16.3614
            3   C1b C    12.9206  -15.6592
            4   C1b C    12.9206  -14.1846
            5   X   Cl   11.7269  -13.5526
            6   C8x C    16.5018  -16.3614
            7   C8y C    17.6956  -15.5890
            8   C8y C    17.6956  -14.1846
            9   C8x C    16.5018  -13.5526
            10  C8x C    15.3081  -14.2548
            11  N5x N    19.1000  -16.0805
            12  C8y C    19.8724  -14.8868
            13  N4y N    19.0297  -13.8335
            14  C1b C    21.2768  -14.8868
            15  C1b C    21.9790  -16.1507
            16  C1b C    23.3834  -16.1507
            17  C1b C    24.0855  -17.3445
            18  C1a C    19.4511  -12.4993
            19  C1b C    14.2208  -17.7800
            20  C1b C    15.4423  -18.4443
            21  X   Cl   15.4776  -19.8100
            22  C1b C    25.4797  -17.3332
            23  C1b C    26.2015  -18.5598
            24  C5a C    27.5800  -18.5483
            25  O5a O    28.2908  -19.7561
            26  N1b N    28.2691  -17.3313
            27  O1b O    29.6794  -17.3894
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    1  10 1
            11    7  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  18 1
            20    2  19 1
            21   19  20 1
            22   20  21 1
            23   17  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   24  26 1
            28   26  27 1

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