KEGG   DRUG: RemetinostatHelp
Entry
D10977                      Drug                                   

Name
Remetinostat (USAN/INN)
Formula
C16H21NO6
Exact mass
323.1369
Mol weight
323.341
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Histone deacetylase inhibitor
Comment
Treatment of early-stage cutaneous T-cell lymphoma
Target
  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
    HDAC
     D10977  Remetinostat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 946150-57-8
PubChem: 342581821
ChEMBL: CHEMBL3707219
KCF data Show

ATOM        23
            1   O7a O    14.7700  -12.3200
            2   C7a C    15.9824  -13.0200
            3   C1b C    17.1949  -12.3200
            4   C1b C    18.4073  -13.0200
            5   C1b C    19.6197  -12.3200
            6   C1b C    20.8322  -13.0200
            7   C1b C    22.0446  -12.3200
            8   C1b C    23.2570  -13.0200
            9   C5a C    24.4695  -12.3200
            10  N1b N    25.6819  -13.0200
            11  O1b O    26.8944  -12.3200
            12  C8y C    13.5576  -13.0200
            13  C8x C    12.3621  -12.3296
            14  C8x C    11.1496  -13.0295
            15  C8y C    11.1494  -14.4295
            16  C8x C    12.3449  -15.1199
            17  C8x C    13.5574  -14.4200
            18  C7a C     9.9266  -15.1354
            19  O7a O     8.7177  -14.4374
            20  O6a O     9.9267  -16.5199
            21  C1a C     7.5370  -15.1190
            22  O6a O    15.9824  -14.4198
            23  O5a O    24.4695  -10.9203
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    1  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18   15  18 1
            19   18  19 1
            20   18  20 2
            21   19  21 1
            22    2  22 2
            23    9  23 2

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