KEGG   DRUG: Apabetalone
Entry
D11131                      Drug                                   
Name
Apabetalone (USAN/INN)
Formula
C20H22N2O5
Exact mass
370.1529
Mol weight
370.40
Structure
Efficacy
Anti-inflammatory, BET inhibitor
Comment
Treatment of atherosclerosis and cardiovascular disease
Target
BRD2 [HSA:6046] [KO:K08871]
BRD3 [HSA:8019] [KO:K11721]
BRD4 [HSA:23476] [KO:K11722]
BRDT [HSA:676] [KO:K11724]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    BRD2
     D11131  Apabetalone (USAN/INN)
    BRD3
     D11131  Apabetalone (USAN/INN)
    BRD4
     D11131  Apabetalone (USAN/INN)
    BRDT
     D11131  Apabetalone (USAN/INN)
Other DBs
CAS: 1044870-39-4
PubChem: 376219055
PDB-CCD: 1K0[PDBj]
LinkDB
KCF data

ATOM        27
            1   C8y C    12.8800  -18.6200
            2   C8y C    12.8800  -17.2200
            3   C8y C    11.6900  -16.5200
            4   C8x C    10.4300  -17.2200
            5   C8y C    10.4300  -18.6200
            6   C8x C    11.6900  -19.3200
            7   C8y C    14.0700  -16.5200
            8   N4x N    15.3300  -17.2200
            9   C8y C    15.3300  -18.6200
            10  N5x N    14.0700  -19.3200
            11  O5x O    14.0700  -15.1200
            12  O2a O    11.6900  -15.1200
            13  C1a C    10.5000  -14.4200
            14  O2a O     9.2400  -19.3200
            15  C1a C     7.9800  -18.6200
            16  C8y C    16.5200  -19.3200
            17  C8x C    17.7100  -18.6200
            18  C8y C    18.9700  -19.3200
            19  C8y C    18.9700  -20.7200
            20  C8y C    17.7800  -21.4200
            21  C8x C    16.5200  -20.7200
            22  C1a C    17.7800  -22.8200
            23  C1a C    20.1600  -18.6200
            24  O2a O    20.1600  -21.4200
            25  C1b C    21.3500  -20.7200
            26  C1b C    22.5400  -21.4200
            27  O1a O    23.7300  -20.7200
BOND        29
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    1  10 1
            12    7  11 2
            13    3  12 1
            14   12  13 1
            15    5  14 1
            16   14  15 1
            17    9  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   20  22 1
            25   18  23 1
            26   19  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1

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