KEGG   DRUG: IlorasertibHelp
Entry
D10423                      Drug                                   

Name
Ilorasertib (USAN)
Formula
C25H21FN6O2S
Exact mass
488.1431
Mol weight
488.5366
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02021  Src inhibitor
 DG02022  Non-receptor tyrosine kinase inhibitor
  DG02021  Src inhibitor
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
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    AURK
     D10423  Ilorasertib (USAN)
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D10423  Ilorasertib (USAN)
   VEGFR family
    VEGFR1 (FLT1)
     D10423  Ilorasertib (USAN)
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D10423  Ilorasertib (USAN)
BRITE hierarchy
Other DBs
CAS: 1227939-82-3
PubChem: 172232516
ChEMBL: CHEMBL1980297
LinkDB All DBs
KCF data Show

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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