KEGG   DRUG: Lerociclib
Entry
D11455                      Drug                                   
Name
Lerociclib (USAN)
Formula
C26H34N8O
Exact mass
474.2856
Mol weight
474.6012
Structure
Simcomp
Class
Antineoplastic
 DG03138  CDK inhibitor
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Comment
Treatment of CDK 4/6 dependent tumors
Target
CDK4/6 [HSA:1019 1021] [KO:K02089 K02091]
  Pathway
hsa04110  Cell cycle
hsa04115  p53 signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   D11455  Lerociclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D11455  Lerociclib (USAN)
Other DBs
CAS: 1628256-23-4
PubChem: 384585432
LinkDB
KCF data

ATOM        35
            1   C8y C    15.9998  -28.5820
            2   C8y C    15.9998  -29.9838
            3   N5x N    17.2613  -30.6847
            4   C8y C    18.4528  -29.9838
            5   N5x N    18.4528  -28.5820
            6   C8x C    17.2613  -27.8812
            7   N1b N    19.7144  -30.6847
            8   C8y C    20.9058  -29.9838
            9   N5x N    22.0973  -30.6847
            10  C8x C    23.2888  -29.9838
            11  C8y C    23.2888  -28.5820
            12  C8x C    22.0973  -27.8812
            13  C8x C    20.9058  -28.5820
            14  N1y N    24.5503  -27.8812
            15  C1x C    25.7418  -28.5820
            16  C1x C    26.9333  -27.8111
            17  N1y N    26.9333  -26.4094
            18  C1x C    25.7418  -25.7085
            19  C1x C    24.5503  -26.4794
            20  C1c C    28.1949  -25.7085
            21  C8x C    14.6681  -28.1615
            22  C8y C    13.8972  -29.2829
            23  N4y N    14.6681  -30.4043
            24  C5x C    12.4954  -29.4231
            25  N1x N    11.9347  -30.6847
            26  C1x C    12.7057  -31.8060
            27  C1z C    14.1074  -31.6659
            28  C1x C    13.5467  -32.9274
            29  C1x C    14.3878  -34.0488
            30  C1x C    15.7895  -33.9086
            31  C1x C    16.3502  -32.6471
            32  C1x C    15.5092  -31.5257
            33  O5x O    11.6544  -28.2316
            34  C1a C    29.3984  -26.4301
            35  C1a C    28.2181  -24.2900
BOND        40
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23    1  21 1
            24   21  22 2
            25   22  23 1
            26    2  23 1
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   23  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   27  32 1
            38   24  33 2
            39   20  34 1
            40   20  35 1

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