KEGG   DRUG: CrenolanibHelp
Entry
D10102                      Drug                                   

Name
Crenolanib (USAN)
Formula
C26H29N5O2
Exact mass
443.2321
Mol weight
443.5408
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical group: 
Activity
Antineoplastic
Comment
angiogenesis inhibitor
Target
PDGFR tyrosine kinase [HSA:5156 5159] [KO:K04363 K05089]
  Pathway
MAPK signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Pathways in cancer
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRA tyrosine kinase
     Crenolanib
      D10102  Crenolanib (USAN)
    PDGFRB tyrosine kinase
     Crenolanib
      D10102  Crenolanib (USAN)
BRITE hierarchy
Other DBs
CAS: 
670220-88-9
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8y C    19.3200  -18.6900
            2   C8y C    19.3200  -20.0900
            3   C8y C    20.5324  -20.7900
            4   C8x C    21.7449  -20.0900
            5   C8x C    21.7449  -18.6900
            6   C8x C    20.5324  -17.9900
            7   C8x C    18.1076  -17.9900
            8   C8x C    16.8951  -18.6900
            9   C8y C    16.8951  -20.0900
            10  N5x N    18.1076  -20.7900
            11  N1y N    20.5324  -22.1898
            12  C1x C    19.3032  -22.8997
            13  C1x C    19.3034  -24.2997
            14  C1y C    20.5159  -24.9996
            15  C1x C    21.7451  -24.2897
            16  C1x C    21.7449  -22.8897
            17  N1a N    20.5160  -26.3900
            18  N4y N    15.6640  -20.8010
            19  C8y C    14.3944  -20.2358
            20  C8y C    13.4645  -21.2687
            21  N5x N    14.1594  -22.4722
            22  C8x C    15.5188  -22.1832
            23  C8x C    13.9617  -18.9044
            24  C8x C    12.5922  -18.6134
            25  C8y C    11.6623  -19.6462
            26  C8x C    12.0950  -20.9777
            27  O2a O    10.3242  -19.3623
            28  C1b C     9.3589  -20.4355
            29  C1z C     8.0105  -20.4296
            30  C1x C     7.0154  -19.4253
            31  O2x O     6.0112  -20.4204
            32  C1x C     7.0062  -21.4246
            33  C1a C     8.5395  -21.7233
BOND        38
            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

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