KEGG   DRUG: D05399Help
Entry
D05399                      Drug                                   

Name
Pelitinib (USAN/INN)
Formula
C24H23ClFN5O2
Exact mass
467.1524
Mol weight
467.9231
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer
Target
epidermal growth factor receptor (EGFR) inhibitor [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Pelitinib
      D05399  Pelitinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
257933-82-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   C8y C    22.3300  -20.5800
            2   C8y C    22.3300  -19.1800
            3   C8x C    21.1400  -18.4800
            4   C8y C    19.8800  -19.1800
            5   C8y C    19.8800  -20.5800
            6   C8x C    21.1400  -21.2800
            7   N5x N    18.6900  -18.4800
            8   C8x C    17.5000  -19.1800
            9   C8y C    17.5000  -20.5800
            10  C8y C    18.6900  -21.2800
            11  O2a O    23.5900  -18.0600
            12  N1b N    23.5900  -21.7700
            13  C5a C    24.7800  -21.0700
            14  C2b C    25.9700  -21.7700
            15  C2b C    27.1600  -21.0700
            16  C1b C    28.3500  -21.7700
            17  N1c N    29.5400  -21.0700
            18  O5a O    24.7800  -19.6700
            19  C1a C    30.7300  -21.7700
            20  C1a C    29.5400  -19.6700
            21  N1b N    18.6900  -22.6800
            22  C8y C    19.8800  -23.3800
            23  C3b C    16.3100  -21.2800
            24  N3a N    15.0500  -21.9800
            25  C8x C    21.0700  -22.6800
            26  C8x C    22.3300  -23.3800
            27  C8y C    22.3300  -24.7800
            28  C8y C    21.1400  -25.4800
            29  C8x C    19.8800  -24.7800
            30  X   F    23.5200  -25.4800
            31  X   Cl   21.1400  -26.8800
            32  C1b C    24.7800  -18.7600
            33  C1a C    26.0400  -18.0600
BOND        35
            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    2  11 1
            13    1  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 1
            19   13  18 2
            20   17  19 1
            21   17  20 1
            22   10  21 1
            23   21  22 1
            24    9  23 1
            25   23  24 3
            26   22  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   22  29 1
            32   27  30 1
            33   28  31 1
            34   11  32 1
            35   32  33 1

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