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
Metabolizing enzyme substrate
 DG02924  UGT substrate
Transporter substrate
 DG01665  ABCB1 substrate
Remark
ATC code: L01EX09
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
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX09 Nintedanib
      D10481  Nintedanib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01374  Nintedanib
    D10481  Nintedanib
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG01374  Nintedanib
    D10481  Nintedanib
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01374  Nintedanib
    D10481  Nintedanib
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
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01374  Nintedanib
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG01374  Nintedanib
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01374  Nintedanib
Other DBs
CAS: 656247-17-5
PubChem: 172232574
ChEBI: 85164
PDB-CCD: XIN[PDBj]
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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Ontology (6)   
   KEGG BRITE (6)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (16)   
   KEGG ORTHOLOGY (8)   
   KEGG GENES (8)   
All databases (26)   

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