KEGG   DRUG: Atirmociclib
Entry
D12834                      Drug                                   
Name
Atirmociclib (USAN)
Formula
C22H27ClFN5O3
Exact mass
463.1786
Mol weight
463.93
Structure
Class
Antineoplastic
 DG03138  CDK inhibitor
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Target
CDK4/6 [HSA:1019 1021] [KO:K02089 K02091]
  Pathway
hsa04110  Cell cycle
hsa04115  p53 signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04218  Cellular senescence
hsa05200  Pathways in cancer
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   D12834  Atirmociclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D12834  Atirmociclib (USAN)
Other DBs
CAS: 2380321-51-5
PubChem: 497621247
LinkDB
KCF data

ATOM        32
            1   C8y C    11.8372   -7.9123
            2   C8y C    11.8372   -9.3130
            3   N5x N    13.0279  -10.0134
            4   C8y C    14.2885   -9.3130
            5   N5x N    14.2885   -7.9123
            6   C8x C    13.0279   -7.2119
            7   N1b N    15.4791  -10.0134
            8   C1y C    16.6698   -9.3130
            9   C1y C    17.8604  -10.0134
            10  C1x C    19.1211   -9.3130
            11  O2x O    19.1211   -7.9123
            12  C1x C    17.9304   -7.2119
            13  C1x C    16.6698   -7.9123
            14  O1a O    17.8604  -11.4141
            15  X   Cl   10.6466   -7.2119
            16  C8y C    10.6466  -10.0134
            17  C8x C     9.4560   -9.3130
            18  C8y C     8.1953  -10.0134
            19  C8y C     8.1953  -11.4141
            20  C8y C     9.3859  -12.1145
            21  C8x C    10.6466  -11.4141
            22  N5x N     7.1613  -12.3301
            23  C8y C     7.7129  -13.5965
            24  N4y N     9.0878  -13.4633
            25  X   F     6.9833   -9.3002
            26  C1d C     7.0069  -14.7964
            27  C1c C    10.0099  -14.5040
            28  C1a C    11.3844  -14.2234
            29  C1a C     9.5708  -15.8193
            30  O1a O     6.3069  -16.0088
            31  C1a C     8.2194  -15.4964
            32  C1a C     5.7945  -14.0964
BOND        35
            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     8   7 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    9  14 1 #Up
            16    1  15 1
            17    2  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   19  22 1
            25   22  23 2
            26   23  24 1
            27   20  24 1
            28   18  25 1
            29   23  26 1
            30   24  27 1
            31   27  28 1
            32   27  29 1
            33   26  30 1
            34   26  31 1
            35   26  32 1

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