KEGG   DRUG: TrilaciclibHelp
Entry
D11130                      Drug                                   

Name
Trilaciclib (USAN/INN)
Formula
C24H30N8O
Exact mass
446.2543
Mol weight
446.548
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG02943  CDK4/6 inhibitor
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
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D11130  Trilaciclib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1374743-00-6
PubChem: 376219054
ChEMBL: CHEMBL3894860
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8y C    19.9500  -14.4900
            2   N4y N    19.9500  -15.8900
            3   C1z C    21.1400  -16.5900
            4   C1x C    22.4000  -15.8900
            5   N1x N    22.4000  -14.4900
            6   C5x C    21.1400  -13.7900
            7   C1x C    19.9500  -17.2900
            8   C1x C    19.9500  -18.6900
            9   C1x C    21.1400  -19.3900
            10  C1x C    22.4000  -18.6900
            11  C1x C    22.4000  -17.2900
            12  O5x O    21.1228  -12.3901
            13  C8x C    18.6185  -14.0574
            14  C8y C    17.7956  -15.1900
            15  C8y C    18.6185  -16.3226
            16  C8x C    16.4033  -15.3363
            17  N5x N    15.8338  -16.6153
            18  C8y C    16.6568  -17.7479
            19  N5x N    18.0491  -17.6016
            20  N1b N    16.0757  -19.0522
            21  C8y C    14.6757  -19.0522
            22  N5x N    13.9766  -17.8414
            23  C8x C    12.5766  -17.8413
            24  C8y C    11.8766  -19.0537
            25  C8x C    12.5757  -20.2646
            26  C8x C    13.9757  -20.2647
            27  N1y N    10.5001  -19.0535
            28  C1x C     9.7944  -17.8308
            29  C1x C     8.3944  -17.8306
            30  N1y N     7.6942  -19.0429
            31  C1x C     8.3999  -20.2656
            32  C1x C     9.7999  -20.2658
            33  C1a C     6.3000  -19.0427
BOND        38
            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

» Japanese version   » Back

DBGET integrated database retrieval system