KEGG   DRUG: Tuspetinib
Entry
D12476                      Drug                                   
Name
Tuspetinib (USAN/INN)
Formula
C29H33ClN6
Exact mass
500.2455
Mol weight
501.06
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Comment
Treatment of patients with acute myeloid leukemia
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
SYK [HSA:6850] [KO:K05855]
KIT* (CD117) [HSA_VAR:3815v1] [HSA:3815] [KO:K05091]
JAK [HSA:3716 3717 3718] [KO:K11217 K04447 K11218]
  Pathway
hsa04010  MAPK signaling pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04640  Hematopoietic cell lineage
hsa05200  Pathways in cancer
hsa05221  Acute myeloid leukemia
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   D12476  Tuspetinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    KIT* (CD117) [HSA_VAR:3815v1]
     D12476  Tuspetinib (USAN/INN)
    FLT3 (CD135)
     D12476  Tuspetinib (USAN/INN)
  Non-receptor tyrosine kinases
   SYK family
    SYK
     D12476  Tuspetinib (USAN/INN)
   JAK family
    JAK
     D12476  Tuspetinib (USAN/INN)
Other DBs
CAS: 2294874-49-8
LinkDB
KCF data

ATOM        36
            1   C8x C     8.7500  -13.2300
            2   C8y C     8.7500  -14.6300
            3   C8y C     9.9400  -15.3300
            4   N5x N    11.2000  -14.6300
            5   C8y C    11.2000  -13.2300
            6   N5x N     9.9400  -12.5300
            7   N1b N    12.3900  -12.5300
            8   C8y C    13.5800  -13.2300
            9   C8x C    13.5800  -14.6300
            10  C8y C    14.8400  -15.3300
            11  C8x C    16.0300  -14.6300
            12  C8y C    16.0300  -13.2300
            13  C8x C    14.8400  -12.5300
            14  C1y C    17.2200  -12.5300
            15  C1x C    18.6200  -12.5300
            16  C1x C    17.9200  -11.3400
            17  C1b C    14.8572  -16.7299
            18  N1y N    16.0651  -17.4076
            19  C1x C    16.0819  -18.8299
            20  C1y C    17.3026  -19.5155
            21  N1x N    18.5066  -18.8011
            22  C1y C    18.4898  -17.3789
            23  C1x C    17.2691  -16.6933
            24  C8y C     9.9228  -16.7299
            25  C8x C     8.7916  -17.5308
            26  N4x N     9.2037  -18.8540
            27  C8y C    10.5896  -18.8710
            28  C8y C    11.0340  -17.5582
            29  C8x C    11.5136  -19.9228
            30  C8y C    12.8864  -19.6485
            31  C8x C    13.3308  -18.3357
            32  C8x C    12.4068  -17.2839
            33  C1a C    13.8183  -20.7090
            34  C1a C    17.3195  -20.9297
            35  C1a C    19.6948  -16.6640
            36  X   Cl    7.5347  -15.3251
BOND        41
            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     5   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 1
            17   15  16 1
            18   16  14 1
            19   10  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27    3  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   24  28 1
            33   27  29 2
            34   29  30 1
            35   30  31 2
            36   31  32 1
            37   28  32 2
            38   30  33 1
            39   20  34 1 #Up
            40   22  35 1 #Up
            41    2  36 1

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