KEGG   DRUG: D04696Help
Entry
D04696                      Drug                                   

Name
Lestaurtinib (USAN/INN)
Formula
C26H21N3O4
Exact mass
439.1532
Mol weight
439.4626
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic, Tyrosine kinase inhibitor
Comment
Treatment of tumors such as prostate and pancreatic carcinomas
Target
FLT3 inhibitor [HSA:2322] [KO:K05092];
janus kinase 2 (JAK2) inhibitor [HSA:3717] [KO:K04447];
neurotrophic tyrosine kinase, receptor, type 1 inhibitor [HSA:4914] [KO:K03176]
  Pathway
MAPK signaling pathway
Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Jak-STAT signaling pathway
Pathways in cancer
Transcriptional misregulation in cancer
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    Fms-related tyrosine kinase 3
     Lestaurtinib
      D04696  Lestaurtinib (USAN/INN)
 Protein kinases
  Tyrosine protein kinases
   JAK family
    Janus kinase 2
     Lestaurtinib
      D04696  Lestaurtinib (USAN/INN)
   Trk family
    NTRK1
     Lestaurtinib
      D04696  Lestaurtinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
111358-88-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C8y C    24.3753  -25.7760
            2   C8y C    24.3735  -27.1603
            3   C8y C    25.5714  -27.8540
            4   C8y C    26.7713  -27.1635
            5   C8y C    26.7731  -25.7791
            6   C8y C    25.5751  -25.0854
            7   N4y N    27.8030  -24.8542
            8   C8y C    27.2417  -23.5888
            9   C8y C    25.8647  -23.7317
            10  C8y C    25.8575  -29.2085
            11  C8y C    27.2341  -29.3550
            12  N4y N    27.7988  -28.0911
            13  C8x C    27.8063  -22.3249
            14  C8x C    26.9941  -21.2039
            15  C8x C    25.6171  -21.3468
            16  C8x C    25.0525  -22.6107
            17  C8x C    25.0424  -30.3273
            18  C8x C    25.6037  -31.5927
            19  C8x C    26.9803  -31.7392
            20  C8x C    27.7955  -30.6204
            21  C5x C    23.0593  -25.3465
            22  N1x N    22.2442  -26.4654
            23  C1x C    23.0564  -27.5863
            24  O5x O    22.6370  -24.0411
            25  C1y C    29.1949  -25.1514
            26  C1z C    29.1914  -27.7976
            27  O2x O    29.6260  -26.4832
            28  C1a C    30.1217  -28.8381
            29  C1x C    30.5316  -25.5114
            30  C1z C    30.5290  -27.4410
            31  C1b C    31.6309  -28.2888
            32  O1a O    31.4502  -29.6486
            33  O1a O    31.8667  -27.0845
BOND        40
            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 1
            10    6   9 1
            11    3  10 1
            12   10  11 1
            13   11  12 1
            14    4  12 1
            15    8  13 2
            16   13  14 1
            17   14  15 2
            18   15  16 1
            19    9  16 2
            20   10  17 2
            21   17  18 1
            22   18  19 2
            23   19  20 1
            24   11  20 2
            25    1  21 1
            26   21  22 1
            27   22  23 1
            28    2  23 1
            29   21  24 2
            30    7  25 1
            31   12  26 1
            32   25  27 1
            33   26  27 1
            34   26  28 1 #Down
            35   25  29 1
            36   26  30 1
            37   29  30 1
            38   30  31 1
            39   31  32 1
            40   30  33 1 #Up

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