KEGG   DRUG: Crenolanib
Entry
D10102                      Drug                                   
Name
Crenolanib (USAN)
Formula
C26H29N5O2
Exact mass
443.2321
Mol weight
443.5408
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical structure group: DG01361
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
angiogenesis inhibitor
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
  Pathway
hsa04010  MAPK signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01361  Crenolanib
     D10102  Crenolanib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D10102  Crenolanib (USAN)
    FLT3 (CD135)
     D10102  Crenolanib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01361  Crenolanib
Other DBs
CAS: 670220-88-9
PubChem: 135626820
ChEBI: 145365
PDB-CCD: 6T2[PDBj]
LigandBox: D10102
KCF data

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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  All links  
Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (6)   
   KEGG ORTHOLOGY (3)   
   KEGG GENES (3)   
All databases (13)   

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