KEGG   DRUG: Nintedanib
Entry
D10481                      Drug                                   

Name
Nintedanib (USAN/INN);
Ofev (TN)
Formula
C31H33N5O4
Exact mass
539.2533
Mol weight
539.6248
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
ATC code: L01XE31
Chemical structure group: DG01374
Product (DG01374): D10396<JP/US>
Efficacy
Antifibrosis, Tyrosine kinase inhibitor
Target
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
FGFR1 (CD331) [HSA:2260] [KO:K04362]
FGFR2 (CD332) [HSA:2263] [KO:K05093]
FGFR3 (CD333) [HSA:2261] [KO:K05094]
  Pathway
hsa04010  MAPK signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: UGT [KO:K00699]
Transporter: ABCB1 [HSA:5243]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE31 Nintedanib
      D10481  Nintedanib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D10481  Nintedanib (USAN/INN)
   FGFR family
    FGFR1 (CD331)
     D10481  Nintedanib (USAN/INN)
    FGFR2 (CD332)
     D10481  Nintedanib (USAN/INN)
    FGFR3 (CD333)
     D10481  Nintedanib (USAN/INN)
   VEGFR family
    VEGFR1 (FLT1)
     D10481  Nintedanib (USAN/INN)
    VEGFR2 (KDR)
     D10481  Nintedanib (USAN/INN)
    VEGFR3 (FLT4)
     D10481  Nintedanib (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10481
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10481
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10481
 Drug transporters
  D10481
Other DBs
CAS: 656247-17-5
PubChem: 172232574
ChEBI: 85164
ChEMBL: CHEMBL502835
PDB-CCD: XIN[PDBj]
LinkDB
KCF data

ATOM        40
            1   C8x C    25.2556  -21.4967
            2   C8x C    24.0008  -20.7996
            3   C8y C    22.8158  -21.4967
            4   C8x C    22.8158  -22.8909
            5   C8x C    24.0008  -23.5880
            6   C8y C    25.2556  -22.8909
            7   N1b N    21.6307  -20.8693
            8   C2c C    20.5153  -21.6361
            9   C2y C    19.2606  -21.0087
            10  C8y C    20.5153  -23.0303
            11  C8x C    19.3303  -23.7274
            12  C8x C    19.3303  -25.1216
            13  C8x C    20.5153  -25.8187
            14  C8x C    21.7701  -25.1216
            15  C8x C    21.7701  -23.7274
            16  C5x C    19.0515  -19.6145
            17  N1x N    17.6572  -19.3357
            18  C8y C    16.9601  -20.5905
            19  C8y C    17.9361  -21.6361
            20  O5x O    20.0273  -18.6387
            21  C8x C    15.6357  -20.9390
            22  C8y C    15.2174  -22.2635
            23  C8x C    16.1933  -23.3091
            24  C8x C    17.5875  -22.9606
            25  O7a O    12.8472  -22.2635
            26  C7a C    14.0323  -22.9606
            27  O6a O    14.0323  -24.3548
            28  C1a C    11.6622  -22.9606
            29  N1c N    26.6100  -23.6985
            30  C5a C    27.8252  -23.0195
            31  C1a C    26.5904  -25.0904
            32  O5a O    28.9896  -23.7139
            33  C1b C    27.8454  -21.6115
            34  N1y N    29.0744  -20.9252
            35  C1x C    30.2440  -21.6231
            36  C1x C    31.4594  -20.9446
            37  N1y N    31.4794  -19.5527
            38  C1x C    30.3098  -18.8548
            39  C1x C    29.0944  -19.5334
            40  C1a C    32.7094  -18.8663
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     3   7 1
            8     7   8 1
            9     8   9 2
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21    9  19 1
            22   16  20 2
            23   18  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   19  24 2
            28   25  26 1
            29   26  22 1
            30   26  27 2
            31   25  28 1
            32    6  29 1
            33   29  30 1
            34   29  31 1
            35   30  32 2
            36   30  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   37  40 1

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