KEGG   DRUG: Trilaciclib
Entry
D11130                      Drug                                   
Name
Trilaciclib (USAN/INN)
Formula
C24H30N8O
Exact mass
446.2543
Mol weight
446.55
Structure
Simcomp
Class
Antineoplastic
 DG03138  CDK inhibitor
Remark
ATC code: V03AF12
Chemical structure group: DG03146
Product (DG03146): D11987<US>
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Comment
Reduction of chemotherapy-induced myelosuppression
Target
CDK4/6 [HSA:1019 1021] [KO:K02089 K02091]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
hsa05222  Small cell lung cancer
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AF Detoxifying agents for antineoplastic treatment
     V03AF12 Trilaciclib
      D11130  Trilaciclib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   D11130  Trilaciclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D11130  Trilaciclib (USAN/INN)
Other DBs
CAS: 1374743-00-6
PubChem: 376219054
ChEBI: 231087
LinkDB
KCF data

ATOM        33
            1   C8y C    16.7300  -29.0500
            2   C8y C    16.7300  -30.4500
            3   N5x N    17.9424  -31.1500
            4   C8y C    19.1549  -30.4500
            5   N5x N    19.1549  -29.0500
            6   C8x C    17.9424  -28.3500
            7   N1b N    20.3860  -31.1610
            8   C8y C    21.5912  -30.4653
            9   N5x N    22.7735  -31.1481
            10  C8x C    23.9860  -30.4483
            11  C8y C    23.9862  -29.0483
            12  C8x C    22.8038  -28.3655
            13  C8x C    21.5913  -29.0653
            14  N1y N    25.2156  -28.3384
            15  C1x C    26.4213  -29.0345
            16  C1x C    27.6337  -28.3345
            17  N1y N    27.6338  -26.9345
            18  C1x C    26.4282  -26.2384
            19  C1x C    25.2157  -26.9384
            20  C1a C    28.8515  -26.2314
            21  C8x C    15.3985  -28.6174
            22  C8y C    14.5756  -29.7500
            23  N4y N    15.3985  -30.8826
            24  C5x C    13.1833  -29.8963
            25  N1x N    12.6138  -31.1753
            26  C1x C    13.4368  -32.3079
            27  C1z C    14.8291  -32.1616
            28  C1x C    14.2731  -33.4101
            29  C1x C    15.0960  -34.5428
            30  C1x C    16.4883  -34.3965
            31  C1x C    17.0443  -33.1480
            32  C1x C    16.2214  -32.0153
            33  O5x O    12.3495  -28.7485
BOND        38
            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

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