KEGG   DRUG: QuisinostatHelp
Entry
D10321                      Drug                                   

Name
Quisinostat (USAN/INN)
Formula
C21H26N6O2
Exact mass
394.2117
Mol weight
394.4701
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01407
Efficacy
Antineoplastic, Histone deacetylase inhibitor
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
     D10321  Quisinostat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 875320-29-9
PubChem: 163312351
ChEMBL: CHEMBL2105763
PDB-CCD: GOK[PDBj]
LinkDB All DBs
KCF data Show

ATOM        29
            1   N5x N    15.3300  -15.3300
            2   C8y C    15.3300  -16.7300
            3   N5x N    16.5424  -17.4300
            4   C8x C    17.7549  -16.7300
            5   C8y C    17.7549  -15.3300
            6   C8x C    16.5424  -14.6300
            7   C5a C    18.9860  -14.6190
            8   N1b N    20.1912  -15.3147
            9   O1b O    21.3735  -14.6319
            10  O5a O    18.9857  -13.2301
            11  N1y N    14.1176  -17.4300
            12  C1x C    12.9221  -16.7396
            13  C1x C    11.7096  -17.4395
            14  C1y C    11.7094  -18.8395
            15  C1x C    12.9049  -19.5299
            16  C1x C    14.1174  -18.8300
            17  C1b C    10.4866  -19.5454
            18  N1b N     9.2777  -18.8474
            19  C1b C     8.0970  -19.5290
            20  C8y C     6.9024  -18.8391
            21  C8x C     6.9335  -17.4300
            22  N4y N     5.6067  -16.9652
            23  C8y C     4.7546  -18.0834
            24  C8y C     5.5548  -19.2393
            25  C8x C     3.3593  -18.1980
            26  C8x C     2.7609  -19.4637
            27  C8x C     3.5611  -20.6196
            28  C8x C     4.9564  -20.5050
            29  C1a C     5.1970  -15.5993
BOND        32
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 2
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   20  24 1
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   24  28 2
            32   22  29 1

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