KEGG   DRUG: Naporafenib
Entry
D12831                      Drug                                   
Name
Naporafenib (USAN/INN)
Formula
C25H25F3N4O4
Exact mass
502.1828
Mol weight
502.48
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Comment
Treatment of cancer
Target
BRAF [HSA:673] [KO:K04365]
RAF1 [HSA:5894] [KO:K04366]
  Pathway
hsa04010  MAPK signaling pathway
hsa04015  Rap1 signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   D12831  Naporafenib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   TKL group
    BRAF
     D12831  Naporafenib (USAN/INN)
    RAF1
     D12831  Naporafenib (USAN/INN)
Other DBs
CAS: 1800398-38-2
PubChem: 497621244
PDB-CCD: K81[PDBj]
LinkDB
KCF data

ATOM        36
            1   O2x O     9.6029  -13.1912
            2   C1x C     9.6029  -14.5946
            3   C1x C    10.8182  -15.2963
            4   N1y N    12.0337  -14.5946
            5   C1x C    12.0337  -13.1912
            6   C1x C    10.8182  -12.4896
            7   C8y C    13.2677  -15.3073
            8   N5x N    13.2674  -16.6995
            9   C8y C    14.4826  -17.4015
            10  C8x C    15.6981  -16.7001
            11  C8y C    15.6984  -15.3079
            12  C8x C    14.4832  -14.6059
            13  C8y C    16.9258  -14.5997
            14  C8x C    18.1196  -15.2896
            15  C8y C    19.3352  -14.5883
            16  C8x C    19.3357  -13.1849
            17  C8x C    18.1420  -12.4951
            18  C8y C    16.9264  -13.1964
            19  N1b N    20.5688  -15.3012
            20  C5a C    21.7717  -14.6072
            21  C8y C    22.9590  -15.2934
            22  O5a O    21.7725  -13.1915
            23  C8x C    22.9585  -16.6994
            24  C8x C    24.1736  -17.4015
            25  N5x N    25.3892  -16.7003
            26  C8y C    25.3897  -15.2942
            27  C8x C    24.1746  -14.5921
            28  C1d C    26.6051  -14.5930
            29  X   F    27.8205  -13.8913
            30  X   F    25.9035  -13.3777
            31  X   F    27.3068  -15.8084
            32  O2a O    14.4823  -18.8043
            33  C1b C    13.2912  -19.4920
            34  C1b C    12.1050  -18.8072
            35  O1a O    10.9088  -19.4979
            36  C1a C    15.7389  -12.5107
BOND        39
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   15  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 2
            25   21  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   21  27 1
            31   26  28 1
            32   28  29 1
            33   28  30 1
            34   28  31 1
            35    9  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   18  36 1

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