KEGG   DRUG: Givinostat
Entry
D12742                      Drug                                   
Name
Givinostat (USAN/INN)
Formula
C24H27N3O4
Exact mass
421.2002
Mol weight
421.49
Structure
Class
Antineoplastic
 DG03133  Histone deacetylase inhibitor
Remark
ATC code: M09AX14
Chemical structure group: DG03284
Product (DG03284): D12743<US>
Efficacy
Antineoplastic, Nervous system disease treatment, Histone deacetylase inhibitor
Comment
Treatment of Duchenne muscular dystrophy and polycythemia vera.
Target
HDAC [HSA:3065 3066 8841 9759 10014 10013 51564 55869 9734 83933 79885] [KO:K06067 K11404 K11406 K11407 K11408 K11405 K11409 K18671 K11418]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M09 OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
   M09A OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
    M09AX Other drugs for disorders of the musculo-skeletal system
     M09AX14 Givinostat
      D12742  Givinostat (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03133  Histone deacetylase inhibitor
   DG03284  Givinostat
    D12742  Givinostat
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC
     D12742  Givinostat (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03133  Histone deacetylase inhibitor
   DG03284  Givinostat
Other DBs
CAS: 497833-27-9
PubChem: 497621155
ChEBI: 94187
PDB-CCD: QCM[PDBj]
LinkDB
KCF data

ATOM        31
            1   C8y C    11.2000  -17.2200
            2   C8y C    11.2000  -18.6200
            3   C8x C    12.3900  -19.3200
            4   C8y C    13.6500  -18.6200
            5   C8x C    13.6500  -17.2200
            6   C8x C    12.3900  -16.5200
            7   C8x C    10.0100  -16.5200
            8   C8y C     8.7500  -17.2200
            9   C8x C     8.7500  -18.6200
            10  C8x C    10.0100  -19.3200
            11  C1b C     7.5600  -16.5200
            12  N1c N     6.3700  -17.2200
            13  C1b C     5.1800  -16.5200
            14  C1b C     6.3700  -18.6200
            15  C1a C     5.1800  -19.3200
            16  C1a C     3.9900  -17.2200
            17  C1b C    14.8400  -19.3200
            18  O7a O    16.0300  -18.6200
            19  C7a C    17.2200  -19.3200
            20  N1b N    18.4100  -18.6200
            21  O6a O    17.2200  -20.7200
            22  C8y C    19.6000  -19.3200
            23  C8x C    19.6000  -20.7200
            24  C8x C    20.8600  -21.4200
            25  C8y C    22.0500  -20.7200
            26  C8x C    22.0500  -19.3200
            27  C8x C    20.8600  -18.6200
            28  C5a C    23.2400  -21.4200
            29  N1b N    24.4300  -20.7200
            30  O5a O    23.2400  -22.8200
            31  O1b O    25.6200  -21.4200
BOND        33
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   12  14 1
            16   14  15 1
            17   13  16 1
            18    4  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   19  21 2
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1
            31   28  29 1
            32   28  30 2
            33   29  31 1

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