KEGG   DRUG: MidostaurinHelp
Entry
D05029                      Drug                                   

Name
Midostaurin (USAN/INN);
Rydapt (TN)
Product
Formula
C35H30N4O4
Exact mass
570.2267
Mol weight
570.6371
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
ATC code: L01XE39
Product: D05029<US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Acute myeloid leukemia (FLT3 mutation-positive) [DS:H00003]
Mast cell leukemia [DS:H01511]
Target
FLT3 (CD135) [HSA_VAR:2322v1 2322v2] [HSA:2322] [KO:K05092]
KIT (CD117) [HSA:3815] [KO:K05091]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
PRKCA [HSA:5578] [KO:K02677]
PRKCB [HSA:5579] [KO:K19662]
PRKCG [HSA:5582] [KO:K19663]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04370  VEGF signaling pathway
hsa04670  Leukocyte transendothelial migration
hsa05200  Pathways in cancer
hsa05221  Acute myeloid leukemia
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE39 Midostaurin
      D05029  Midostaurin (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    PRKCA
     D05029  Midostaurin (USAN/INN) <US>
    PRKCB
     D05029  Midostaurin (USAN/INN) <US>
    PRKCG
     D05029  Midostaurin (USAN/INN) <US>
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D05029  Midostaurin (USAN/INN) <US>
    KIT (CD117)
     D05029  Midostaurin (USAN/INN) <US>
    FLT3 (CD135) [HSA_VAR:2322v1 2322v2]
     D05029  Midostaurin (USAN/INN) <US>
   VEGFR family
    VEGFR2 (KDR)
     D05029  Midostaurin (USAN/INN) <US>
Antineoplastics [br08340.html]
 D05029
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D05029
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05029
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05029
Pharmacogenomic biomarkers [br08341.html]
 Companion diagnostics
  D05029
BRITE hierarchy
Other DBs
CAS: 120685-11-2
PubChem: 47206756
ChEBI: 63452
ChEMBL: CHEMBL608533
PDB-CCD: 2K2[PDBj]
LigandBox: D05029
NIKKAJI: J492.319G
LinkDB All DBs
KCF data Show

ATOM        43
            1   C8y C    18.3242  -20.7759
            2   C8y C    18.3250  -22.1603
            3   C8y C    19.5242  -22.8517
            4   C8y C    20.7229  -22.1589
            5   C8y C    20.7221  -20.7745
            6   C8y C    19.5226  -20.0830
            7   C5x C    17.0074  -20.3488
            8   N1x N    16.1942  -21.4692
            9   C1x C    17.0087  -22.5887
            10  N4y N    21.7504  -19.8475
            11  C8y C    21.1867  -18.5831
            12  C8y C    19.8097  -18.7287
            13  C8y C    19.8129  -24.2056
            14  C8y C    21.1900  -24.3496
            15  N4y N    21.7523  -23.0845
            16  O5x O    16.5825  -19.0442
            17  C8x C    21.7489  -17.3182
            18  C8x C    20.9345  -16.1987
            19  C8x C    19.5577  -16.3442
            20  C8x C    18.9954  -17.6092
            21  C8x C    18.9999  -25.3261
            22  C8x C    19.5636  -26.5903
            23  C8x C    20.9406  -26.7343
            24  C8x C    21.7537  -25.6139
            25  C1y C    23.1429  -20.1421
            26  C1z C    23.1444  -22.7884
            27  O2x O    22.4435  -21.4950
            28  C1x C    24.5430  -20.1413
            29  C1y C    24.5445  -22.7876
            30  C1y C    25.2652  -21.4662
            31  C1a C    23.2886  -24.1489
            32  O2a O    25.2374  -23.9849
            33  N1c N    26.6718  -21.4976
            34  C1a C    24.5187  -25.2340
            35  C1a C    27.3420  -22.7208
            36  C5a C    27.4015  -20.2966
            37  C8y C    26.7238  -19.0595
            38  O5a O    28.7710  -20.3274
            39  C8x C    27.4635  -17.8425
            40  C8x C    26.7907  -16.6146
            41  C8x C    25.3910  -16.5832
            42  C8x C    24.6514  -17.8003
            43  C8x C    25.3241  -19.0281
BOND        51
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    2   9 1
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14    6  12 1
            15    3  13 1
            16   13  14 1
            17   14  15 1
            18    4  15 1
            19    7  16 2
            20   11  17 2
            21   17  18 1
            22   18  19 2
            23   19  20 1
            24   12  20 2
            25   13  21 2
            26   21  22 1
            27   22  23 2
            28   23  24 1
            29   14  24 2
            30   10  25 1
            31   15  26 1
            32   25  27 1
            33   27  26 1
            34   25  28 1
            35   26  29 1
            36   29  30 1
            37   28  30 1
            38   26  31 1 #Down
            39   29  32 1 #Up
            40   30  33 1 #Up
            41   32  34 1
            42   33  35 1
            43   33  36 1
            44   36  37 1
            45   36  38 2
            46   37  39 2
            47   39  40 1
            48   40  41 2
            49   41  42 1
            50   42  43 2
            51   37  43 1

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