KEGG   DRUG: RepotrectinibHelp
Entry
D11454                      Drug                                   

Name
Repotrectinib (USAN)
Formula
C18H18FN5O2
Exact mass
355.1445
Mol weight
355.3662
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
ROS1 [HSA:6098] [KO:K05088]
NTRK1 (TRKA) [HSA:4914] [KO:K03176]
NTRK3 (TRKC) [HSA:4916] [KO:K05101]
ALK (CD246) [HSA:238] [KO:K05119]
  Pathway
hsa04722  Neurotrophin signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    ROS1
     D11454  Repotrectinib (USAN)
   TRK family
    NTRK1 (TRKA)
     D11454  Repotrectinib (USAN)
    NTRK3 (TRKC)
     D11454  Repotrectinib (USAN)
   ALK family
    ALK (CD246)
     D11454  Repotrectinib (USAN)
BRITE hierarchy
Other DBs
CAS: 1802220-02-5
PubChem: 384585431
KCF data Show

ATOM        26
            1   C8y C    15.8900  -14.9100
            2   C8x C    15.8900  -13.5100
            3   C8x C    17.0800  -12.8100
            4   N4y N    18.3400  -13.5100
            5   C8y C    18.3400  -14.9100
            6   N5x N    17.0800  -15.6100
            7   N5x N    19.6700  -13.0900
            8   C8x C    20.4400  -14.2100
            9   C8y C    19.6700  -15.3300
            10  N1x N    14.7000  -15.6100
            11  C1y C    14.7000  -17.0100
            12  C8y C    13.5100  -17.7100
            13  C8y C    13.5100  -19.1100
            14  C8x C    12.2500  -19.8100
            15  C8x C    11.0600  -19.1100
            16  C8y C    11.0600  -17.7100
            17  C8x C    12.2500  -17.0100
            18  C1y C    16.4500  -19.1100
            19  C5x C    20.0900  -16.6600
            20  O5x O    21.4900  -16.9400
            21  N1x N    19.1800  -17.7100
            22  C1x C    17.1500  -17.7100
            23  X   F     9.8700  -17.0100
            24  O2x O    14.7000  -19.8100
            25  C1a C    17.4300  -20.1600
            26  C1a C    15.8900  -17.7100
BOND        29
            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 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    1  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20    9  19 1
            21   19  20 2
            22   19  21 1
            23   18  22 1
            24   22  21 1
            25   16  23 1
            26   13  24 1
            27   24  18 1
            28   18  25 1 #Down
            29   11  26 1 #Down

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