KEGG   DRUG: Catequentinib hydrochloride
Entry
D12537                      Drug                                   
Name
Catequentinib hydrochloride (USAN)
Formula
C23H22FN3O3. 2HCl
Exact mass
479.1179
Mol weight
480.36
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Remark
Chemical structure group: DG03258
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
FGFR [HSA:2260 2263 2261 2264] [KO:K04362 K05093 K05094 K05095]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03258  Catequentinib
    D12537  Catequentinib hydrochloride
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D12537  Catequentinib hydrochloride (USAN)
    KIT (CD117)
     D12537  Catequentinib hydrochloride (USAN)
   FGFR family
    FGFR
     D12537  Catequentinib hydrochloride (USAN)
   VEGFR family
    VEGFR1 (FLT1)
     D12537  Catequentinib hydrochloride (USAN)
    VEGFR2 (KDR)
     D12537  Catequentinib hydrochloride (USAN)
    VEGFR3 (FLT4)
     D12537  Catequentinib hydrochloride (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03258  Catequentinib
LinkDB
KCF data

ATOM        32
            1   C8x C    24.0607  -16.5767
            2   C8y C    24.0607  -17.9056
            3   C8x C    22.8017  -15.8073
            4   C8y C    21.6127  -16.5767
            5   C8y C    21.6127  -17.9056
            6   C8y C    22.8017  -18.6051
            7   O2a O    20.4236  -15.8073
            8   C8y C    20.4236  -14.4084
            9   C8x C    21.6127  -13.7090
            10  C8x C    21.6127  -12.3101
            11  N5x N    20.4236  -11.6107
            12  C8y C    19.1646  -12.3101
            13  C8y C    19.1646  -13.7090
            14  C8x C    17.9756  -11.6107
            15  C8y C    16.7865  -12.3101
            16  C8y C    16.7865  -13.7090
            17  C8x C    17.9756  -14.4084
            18  O2a O    15.5975  -11.6107
            19  C1b C    14.4084  -12.3101
            20  C1z C    13.2194  -11.6107
            21  O2a O    15.5975  -14.4084
            22  C1a C    14.4084  -13.7090
            23  N1a N    12.0303  -12.3101
            24  C1x C    13.9188  -10.4216
            25  C1x C    12.5200  -10.4216
            26  X   F    20.4236  -18.6051
            27  C8x C    23.0815  -20.0739
            28  C8y C    24.4804  -20.2138
            29  N4x N    25.1098  -18.8848
            30  C1a C    25.1798  -21.4728
            31  X   Cl   13.5800  -21.3500
            32  X   Cl   13.5800  -20.0200
BOND        34
            1     1   2 2
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     2   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   13  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   16  21 1
            24   21  22 1
            25   20  23 1
            26   24  25 1
            27   25  20 1
            28   20  24 1
            29    5  26 1
            30    6  27 1
            31   27  28 2
            32   28  29 1
            33    2  29 1
            34   28  30 1

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