KEGG   DRUG: D10103Help
Entry
D10103                      Drug                                   

Name
Crenolanib besylate (USAN)
Formula
C26H29N5O2. C6H6O3S
Exact mass
601.2359
Mol weight
601.7158
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Comment
angiogenesis inhibitor
Target
PDGFR tyrosine kinase inhibitor [HSA:5156 5159] [KO:K04363 K05089]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa05200  Pathways in cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRA tyrosine kinase [HSA:5156] [KO:K04363]
     Crenolanib
      D10103  Crenolanib besylate (USAN)
    PDGFRB tyrosine kinase [HSA:5159] [KO:K05089]
     Crenolanib
      D10103  Crenolanib besylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
670220-93-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        43
            1   C8y C    29.9600  -17.6400
            2   C8y C    29.9600  -19.0400
            3   C8y C    31.1500  -19.7400
            4   C8x C    32.4100  -19.0400
            5   C8x C    32.4100  -17.6400
            6   C8x C    31.1500  -16.9400
            7   C8x C    28.7700  -16.9400
            8   C8x C    27.5100  -17.6400
            9   C8y C    27.5100  -19.0400
            10  N5x N    28.7700  -19.7400
            11  N1y N    31.1500  -21.1400
            12  C1x C    29.9600  -21.8400
            13  C1x C    29.9600  -23.2400
            14  C1y C    31.1500  -23.9400
            15  C1x C    32.4100  -23.2400
            16  C1x C    32.4100  -21.8400
            17  N1a N    31.1500  -25.3400
            18  N4y N    26.3200  -19.7400
            19  C8y C    25.0600  -19.1800
            20  C8y C    24.0800  -20.2300
            21  N5x N    24.7800  -21.4200
            22  C8x C    26.1800  -21.1400
            23  C8x C    24.5700  -17.8500
            24  C8x C    23.2400  -17.5700
            25  C8y C    22.3300  -18.6200
            26  C8x C    22.7500  -19.9500
            27  O2a O    20.9300  -18.3400
            28  C1b C    20.0200  -19.3900
            29  C1z C    18.6200  -19.3900
            30  C1x C    17.6400  -18.3400
            31  O2x O    16.6600  -19.3900
            32  C1x C    17.6400  -20.3700
            33  C1a C    19.1800  -20.6500
            34  C8x C    35.1400  -21.5600
            35  C8x C    35.1400  -22.9600
            36  C8x C    36.3524  -23.6600
            37  C8x C    37.5649  -22.9600
            38  C8x C    37.5649  -21.5600
            39  C8y C    36.3524  -20.8600
            40  S4a S    36.3524  -19.4602
            41  O1d O    37.7524  -19.4602
            42  O1d O    34.9524  -19.4602
            43  O1d O    36.3524  -18.0602
BOND        48
            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 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    3  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   14  17 1
            20    9  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   18  22 1
            26   19  23 2
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   20  26 2
            31   25  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   29  32 1
            38   29  33 1
            39   34  35 2
            40   35  36 1
            41   36  37 2
            42   37  38 1
            43   38  39 2
            44   34  39 1
            45   39  40 1
            46   40  41 2
            47   40  42 2
            48   40  43 1

» Japanese version   » Back

DBGET integrated database retrieval system