KEGG   DRUG: Lestaurtinib
Entry
D04696                      Drug                                   
Name
Lestaurtinib (USAN/INN)
Formula
C26H21N3O4
Exact mass
439.1532
Mol weight
439.46
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
Treatment of tumors such as prostate and pancreatic carcinomas
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    D04696  Lestaurtinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FLT3 (CD135)
     D04696  Lestaurtinib (USAN/INN)
Other DBs
CAS: 111358-88-4
PubChem: 47206529
PDB-CCD: 2V9[PDBj]
LigandBox: D04696
NIKKAJI: J1.110.569F
LinkDB
KCF data

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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