KEGG   DRUG: LerociclibHelp
Entry
D11455                      Drug                                   

Name
Lerociclib (USAN)
Formula
C26H34N8O
Exact mass
474.2856
Mol weight
474.6012
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
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
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D11455  Lerociclib (USAN)
BRITE hierarchy
Other DBs
CAS: 1628256-23-4
PubChem: 384585432
ChEMBL: CHEMBL3904602
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    24.1826  -14.3693
            2   N4y N    24.1826  -15.7712
            3   C1z C    25.3742  -16.4721
            4   C1x C    26.6358  -15.7712
            5   N1x N    26.6358  -14.3693
            6   C5x C    25.3742  -13.6683
            7   C1x C    24.1826  -17.1730
            8   C1x C    24.1826  -18.5048
            9   C1x C    25.3742  -19.2058
            10  C1x C    26.6358  -18.5048
            11  C1x C    26.6358  -17.1730
            12  O5x O    25.3742  -12.2665
            13  C8x C    22.8508  -13.8786
            14  C8y C    22.0797  -15.0702
            15  C8y C    22.8508  -16.1917
            16  C8x C    20.6778  -15.2104
            17  N5x N    20.1171  -16.4721
            18  C8y C    20.8881  -17.5936
            19  N5x N    22.2900  -17.4534
            20  N1b N    20.3274  -18.9254
            21  C8y C    18.9255  -18.9254
            22  N5x N    18.2246  -17.6637
            23  C8x C    16.8227  -17.6637
            24  C8y C    16.1217  -18.9254
            25  C8x C    16.8227  -20.1170
            26  C8x C    18.2246  -20.1170
            27  N1y N    14.7899  -18.9254
            28  C1x C    14.0890  -17.6637
            29  C1x C    12.6871  -17.6637
            30  N1y N    11.9862  -18.8553
            31  C1x C    12.6871  -20.1170
            32  C1x C    14.0890  -20.1170
            33  C1c C    10.5843  -18.8553
            34  C1a C     9.8698  -17.6177
            35  C1a C     9.8916  -20.0546
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11   3 1
            12    7   3 1
            13    6  12 2
            14    1  13 2
            15   13  14 1
            16   14  15 2
            17    2  15 1
            18   14  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   15  19 1
            23   18  20 1
            24   20  21 1
            25   21  22 2
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   21  26 1
            31   24  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   30  33 1
            39   33  34 1
            40   33  35 1

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