KEGG   DRUG: Nintedanib esylate
Entry
D10396                      Drug                                   

Name
Nintedanib esylate (USAN);
Nintedanib ethanesulfonate (JAN);
Ofev (TN)
Product
Formula
C31H33N5O4. C2H6O3S
Exact mass
649.257
Mol weight
649.7571
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Therapeutic category: 3999
ATC code: L01XE31
Chemical structure group: DG01374
Product (DG01374): D10396<JP/US>
Efficacy
Antifibrosis, Tyrosine kinase inhibitor
  Disease
Idiopathic pulmonary fibrosis [DS:H01299]
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
      D10396  Nintedanib esylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Fibrosis Agents
   Nintedanib
    D10396  Nintedanib esylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D10396  Nintedanib esylate (USAN); Nintedanib ethanesulfonate (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D10396  Nintedanib esylate (USAN) <JP/US>
   FGFR family
    FGFR1 (CD331)
     D10396  Nintedanib esylate (USAN) <JP/US>
    FGFR2 (CD332)
     D10396  Nintedanib esylate (USAN) <JP/US>
    FGFR3 (CD333)
     D10396  Nintedanib esylate (USAN) <JP/US>
   VEGFR family
    VEGFR1 (FLT1)
     D10396  Nintedanib esylate (USAN) <JP/US>
    VEGFR2 (KDR)
     D10396  Nintedanib esylate (USAN) <JP/US>
    VEGFR3 (FLT4)
     D10396  Nintedanib esylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10396
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10396
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10396
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10396
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10396
 Drug transporters
  D10396
Other DBs
CAS: 656247-18-6
PubChem: 172232489
ChEBI: 85170
LinkDB
KCF data

ATOM        46
            1   S4a S    30.0803  -11.0132
            2   O1d O    30.0803   -9.6159
            3   O1d O    30.0803  -12.4804
            4   C1b C    28.6830  -11.0132
            5   O1d O    31.4776  -11.0132
            6   C1a C    27.9843   -9.8031
            7   C5a C    19.1800  -10.4300
            8   N1c N    17.9900   -9.7300
            9   C8y C    16.8000  -10.4300
            10  C8x C    15.5400   -9.7300
            11  C8y C    14.3500  -10.4300
            12  C8x C    14.3500  -11.8300
            13  C8x C    15.5400  -12.5300
            14  C8x C    16.8000  -11.8300
            15  N1b N    13.1600   -9.8000
            16  O5a O    19.1800  -11.8300
            17  N1y N    21.4200  -10.2200
            18  C1x C    21.4200  -11.6200
            19  C1x C    22.6100  -12.3200
            20  N1y N    23.8000  -11.6200
            21  C1x C    23.8000  -10.2200
            22  C1x C    22.6100   -9.5200
            23  C1a C    25.0600  -12.3200
            24  C1b C    20.1600   -9.5900
            25  C1a C    17.9900   -8.4000
            26  C2c C    12.0400  -10.5700
            27  C2y C    10.7800   -9.9400
            28  C8y C    12.0400  -11.9700
            29  C8x C    10.8500  -12.6700
            30  C8x C    10.8500  -14.0700
            31  C8x C    12.0400  -14.7700
            32  C8x C    13.3000  -14.0700
            33  C8x C    13.3000  -12.6700
            34  C5x C    10.5700   -8.5400
            35  N1x N     9.1700   -8.2600
            36  C8y C     8.4700   -9.5200
            37  C8y C     9.4500  -10.5700
            38  O5x O    11.5500   -7.5600
            39  C8x C     7.1400   -9.8700
            40  C8y C     6.7200  -11.2000
            41  C8x C     7.7000  -12.2500
            42  C8x C     9.1000  -11.9000
            43  O7a O     4.3400  -11.2000
            44  C7a C     5.5300  -11.9000
            45  O6a O     5.5300  -13.3000
            46  C1a C     3.1500  -11.9000
BOND        49
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     4   6 1
            6     9  10 2
            7    10  11 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14   9 1
            12   11  15 1
            13    7  16 2
            14    7   8 1
            15    8   9 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  17 1
            22   20  23 1
            23   17  24 1
            24    7  24 1
            25    8  25 1
            26   15  26 1
            27   26  27 2
            28   26  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   31  32 1
            33   32  33 2
            34   28  33 1
            35   27  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   27  37 1
            40   34  38 2
            41   36  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   37  42 2
            46   43  44 1
            47   44  40 1
            48   44  45 2
            49   43  46 1

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