KEGG   DRUG: Larotrectinib sulfateHelp
Entry
D11138                      Drug                                   

Name
Larotrectinib sulfate (USAN);
Vitrakvi (TN)
Product
Formula
C21H22F2N6O2. H2SO4
Exact mass
526.1446
Mol weight
526.5137
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02923
Product (DG02923): D11138<US>
Efficacy
Antineoplastic, Tropomyosin receptor kinase inhibitor
Comment
Treatment of TRK positive tumors
Target
NTRK [HSA:4914 4915 4916] [KO:K03176 K04360 K05101]
  Pathway
hsa04722  Neurotrophin signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   TRK family
    NTRK
     D11138  Larotrectinib sulfate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11138
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11138
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11138
BRITE hierarchy
Other DBs
CAS: 1223405-08-0
PubChem: 376219062
ChEMBL: CHEMBL3989939
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8x C    17.1089  -15.5662
            2   C8y C    17.1089  -16.9686
            3   N5x N    18.3010  -17.6698
            4   C8y C    19.4930  -16.9686
            5   N4y N    19.4930  -15.5662
            6   C8x C    18.3010  -14.8650
            7   C8y C    20.8252  -17.3893
            8   C8x C    21.6666  -16.2674
            9   N5x N    20.8252  -15.1455
            10  N1b N    21.3160  -18.7215
            11  C5a C    22.7184  -18.7215
            12  O5a O    23.4196  -19.9136
            13  N1y N    23.4196  -17.4594
            14  C1x C    24.8219  -17.4595
            15  C1x C    25.3128  -16.1973
            16  C1y C    24.1909  -15.3559
            17  C1x C    22.9989  -16.1272
            18  O1a O    24.1909  -13.9535
            19  N1y N    15.8468  -17.6698
            20  C1y C    14.5847  -17.1088
            21  C1x C    13.6732  -18.1606
            22  C1x C    14.3743  -19.3526
            23  C1x C    15.7066  -19.0721
            24  C8y C    14.3042  -15.7065
            25  C8x C    15.3560  -14.7949
            26  C8y C    15.0755  -13.3926
            27  C8x C    13.7433  -12.9719
            28  C8x C    12.6915  -13.8834
            29  C8y C    12.9720  -15.2858
            30  X   F    16.0572  -12.4810
            31  X   F    11.9202  -16.1973
            32  S4a S    28.4900  -16.8000
            33  O1d O    28.4900  -15.4000
            34  O1d O    28.4900  -18.2000
            35  O1d O    27.0900  -16.8000
            36  O1d O    29.8900  -16.8000
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 2
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 1
            20   16  18 1 #Up
            21    2  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   19  23 1
            27   20  24 1 #Down
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   26  30 1
            35   29  31 1
            36   32  33 2
            37   32  34 2
            38   32  35 1
            39   32  36 1

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