KEGG   DRUG: TandutinibHelp
Entry
D06005                      Drug                                   

Name
Tandutinib (USAN/INN)
Formula
C31H42N6O4
Exact mass
562.3268
Mol weight
562.703
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
Treatment of cardiovascular diseases, fibrotic diseases and acute myelogenous leukemia
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
PDGFRB [HSA:5159] [KO:K05089]
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFRB
     D06005  Tandutinib (USAN/INN)
    KIT (CD117)
     D06005  Tandutinib (USAN/INN)
    FLT3 (CD135)
     D06005  Tandutinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 387867-13-2
PubChem: 47207663
ChEBI: 90237
ChEMBL: CHEMBL124660
LigandBox: D06005
NIKKAJI: J2.069.102F
KCF data Show

ATOM        41
            1   C8y C    19.1800  -15.4700
            2   C8y C    19.1800  -16.8700
            3   C8x C    17.9900  -17.5700
            4   C8y C    16.7300  -16.8700
            5   C8y C    16.7300  -15.4700
            6   C8x C    17.9900  -14.7700
            7   C8y C    15.5400  -17.5700
            8   N5x N    14.3500  -16.8700
            9   C8x C    14.3500  -15.4700
            10  N5x N    15.5400  -14.7700
            11  N1y N    15.5400  -18.9700
            12  O2a O    20.3953  -14.7749
            13  O2a O    20.3953  -17.5651
            14  C1a C    21.5837  -16.8723
            15  C1b C    21.5837  -15.4677
            16  C1b C    22.7801  -14.7835
            17  C1b C    23.9613  -15.4719
            18  N1y N    25.1613  -14.7855
            19  C1x C    26.3408  -15.4729
            20  C1x C    27.5560  -14.7778
            21  C1x C    27.5617  -13.3778
            22  C1x C    26.3822  -12.6905
            23  C1x C    25.0969  -13.3855
            24  C1x C    14.3276  -19.6700
            25  C1x C    14.3276  -21.0700
            26  N1y N    15.5400  -21.7700
            27  C1x C    16.7524  -21.0700
            28  C1x C    16.7524  -19.6700
            29  C5a C    15.5400  -23.1700
            30  O5a O    14.3276  -23.8700
            31  N1b N    16.7524  -23.8700
            32  C8y C    17.9479  -23.1796
            33  C8x C    19.1353  -23.8651
            34  C8x C    20.3477  -23.1650
            35  C8y C    20.3476  -21.7650
            36  C8x C    19.1603  -21.0796
            37  C8x C    17.9479  -21.7796
            38  O2a O    21.5745  -21.0564
            39  C1c C    22.7819  -21.7534
            40  C1a C    23.9631  -21.0712
            41  C1a C    22.7824  -23.1696
BOND        45
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 1
            13    1  12 1
            14    2  13 1
            15   13  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   11  28 1
            32   26  29 1
            33   29  30 2
            34   29  31 1
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   32  37 1
            42   35  38 1
            43   38  39 1
            44   39  40 1
            45   39  41 1

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