KEGG   DRUG: Ilorasertib
Entry
D10423                      Drug                                   
Name
Ilorasertib (USAN/INN)
Formula
C25H21FN6O2S
Exact mass
488.1431
Mol weight
488.5366
Structure
Efficacy
Antineoplastic, Aurora kinase (serine/threonine kinase) inhibitor
Target
AURK [HSA:6790 9212 6795] [KO:K11481 K11479 K11480]
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
SRC [HSA:6714] [KO:K05704]
  Pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    AURK
     D10423  Ilorasertib (USAN/INN)
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D10423  Ilorasertib (USAN/INN)
   VEGFR family
    VEGFR1 (FLT1)
     D10423  Ilorasertib (USAN/INN)
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D10423  Ilorasertib (USAN/INN)
Other DBs
CAS: 1227939-82-3
PubChem: 172232516
KCF data

ATOM        35
            1   C8x C    25.2000  -20.5100
            2   C8y C    25.2000  -21.9100
            3   C8x C    26.3900  -22.6100
            4   C8y C    27.6500  -21.9100
            5   C8x C    27.6500  -20.5100
            6   C8x C    26.3900  -19.8100
            7   X   F    28.8400  -22.6100
            8   N1b N    24.0100  -22.6100
            9   C5a C    22.8200  -21.9100
            10  N1b N    21.6300  -22.6100
            11  C8y C    20.4400  -21.9100
            12  O5a O    22.8200  -20.5100
            13  C8x C    20.4400  -20.5100
            14  C8x C    19.1800  -19.8100
            15  C8y C    17.9900  -20.5100
            16  C8x C    17.9900  -21.9100
            17  C8x C    19.1800  -22.6100
            18  C8y C    16.8000  -19.8100
            19  C8y C    13.3000  -20.7200
            20  C8x C    13.3000  -22.1200
            21  N5x N    14.4900  -22.8200
            22  C8y C    15.7500  -22.1200
            23  C8y C    15.7500  -20.7200
            24  C8y C    14.4900  -20.0200
            25  C8x C    16.1700  -18.4800
            26  S2x S    14.7700  -18.6200
            27  N1a N    16.9400  -22.8200
            28  N4y N    10.7800  -18.2000
            29  C8x C    11.1300  -19.6000
            30  C8y C    12.5300  -19.6000
            31  C8x C    13.0200  -18.2700
            32  N5x N    11.9700  -17.4300
            33  C1b C     9.5900  -17.5000
            34  C1b C     8.4000  -18.2000
            35  O1a O     7.2100  -17.5000
BOND        39
            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     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 2
            13   11  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   11  17 1
            19   15  18 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   23  18 1
            27   25  26 1
            28   24  26 1
            29   22  27 1
            30   25  18 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   28  32 1
            36   30  19 1
            37   33  28 1
            38   33  34 1
            39   34  35 1

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