KEGG   DRUG: Trilaciclib dihydrochloride
Entry
D11987                      Drug                                   

Name
Trilaciclib dihydrochloride;
Cosela (TN)
Product
Formula
C24H30N8O. 2HCl
Exact mass
518.2076
Mol weight
519.4699
Structure
Remark
ATC code: V03AF12
Chemical structure group: DG03146
Product (DG03146): D11987<US>
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
  Disease
Small cell lung cancer [DS:H00013]
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
      D11987  Trilaciclib dihydrochloride <US>
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D11987  Trilaciclib dihydrochloride <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11987
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11987
Other DBs
ChEMBL: CHEMBL4650272
LinkDB
KCF data

ATOM        35
            1   C8y C    22.3300  -13.9300
            2   N4y N    22.3300  -15.3300
            3   C1z C    23.5200  -16.0300
            4   C1x C    24.7800  -15.3300
            5   N1x N    24.7800  -13.9300
            6   C5x C    23.5200  -13.2300
            7   C1x C    22.3300  -16.7300
            8   C1x C    22.3300  -18.0600
            9   C1x C    23.5200  -18.7600
            10  C1x C    24.7800  -18.0600
            11  C1x C    24.7800  -16.7300
            12  O5x O    23.5200  -11.8300
            13  C8x C    21.0000  -13.4400
            14  C8y C    20.2300  -14.6300
            15  C8y C    21.0000  -15.7500
            16  C8x C    18.8300  -14.7700
            17  N5x N    18.2700  -16.0300
            18  C8y C    19.0400  -17.1500
            19  N5x N    20.4400  -17.0100
            20  N1b N    18.4800  -18.4800
            21  C8y C    17.0800  -18.4800
            22  N5x N    16.3800  -17.2200
            23  C8x C    14.9800  -17.2200
            24  C8y C    14.2800  -18.4800
            25  C8x C    14.9800  -19.6700
            26  C8x C    16.3800  -19.6700
            27  N1y N    12.9500  -18.4800
            28  C1x C    12.2500  -17.2200
            29  C1x C    10.8500  -17.2200
            30  N1y N    10.1500  -18.4100
            31  C1x C    10.8500  -19.6700
            32  C1x C    12.2500  -19.6700
            33  C1a C     8.7500  -18.4100
            34  X   Cl   26.6000  -19.7400
            35  X   Cl   26.6000  -19.7400
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
BRACKET     1    24.8500  -20.5100   24.8500  -18.9000
            1    27.7900  -18.9000   27.7900  -20.5100
            1  2
 ORIGINAL  1   34
 REPEAT    1   35

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