KEGG   DRUG: SaracatinibHelp
Entry
D09664                      Drug                                   

Name
Saracatinib (USAN/INN)
Formula
C27H32ClN5O5
Exact mass
541.2092
Mol weight
542.0265
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02021  Src inhibitor
 DG02022  Non-receptor tyrosine kinase inhibitor
  DG02021  Src inhibitor
Remark
Chemical structure group: DG01418
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
ABL1 [HSA:25] [KO:K06619]
SRC [HSA:6714] [KO:K05704]
  Pathway
hsa04012  ErbB signaling pathway
hsa04062  Chemokine signaling pathway
hsa04370  VEGF signaling pathway
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D09664  Saracatinib (USAN/INN)
   ABL family
    ABL1
     D09664  Saracatinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 379231-04-6
PubChem: 124490404
ChEMBL: CHEMBL217092
PDB-CCD: H8H[PDBj]
LigandBox: D09664
LinkDB All DBs
KCF data Show

ATOM        38
            1   C8x C    24.3650  -20.3757
            2   C8y C    24.3650  -18.9754
            3   C8x C    25.5553  -18.2752
            4   C8y C    26.8156  -18.9754
            5   C8y C    26.8156  -20.3757
            6   C8y C    25.5553  -21.0759
            7   N5x N    28.0059  -18.2752
            8   C8x C    29.1962  -18.9754
            9   N5x N    29.1962  -20.3757
            10  C8y C    28.0059  -21.0759
            11  O2a O    25.5553  -22.4762
            12  N1b N    28.0059  -22.4762
            13  C8y C    29.1962  -23.1764
            14  C1y C    24.3650  -23.1764
            15  C1x C    24.3650  -24.5767
            16  C1x C    23.1047  -25.2769
            17  O2x O    21.9144  -24.5767
            18  C1x C    21.9144  -23.1764
            19  C1x C    23.1047  -22.4762
            20  O2a O    23.1747  -18.2752
            21  C1b C    21.9844  -18.9754
            22  C1b C    20.7941  -18.2752
            23  N1y N    19.6039  -18.9754
            24  C1x C    19.6039  -20.3757
            25  C1x C    18.3436  -21.0759
            26  N1y N    17.1533  -20.3757
            27  C1x C    17.1533  -18.9754
            28  C1x C    18.3436  -18.2752
            29  C1a C    15.9630  -21.0759
            30  C8y C    30.3865  -22.4762
            31  C8x C    31.6468  -23.1764
            32  C8x C    31.6468  -24.5767
            33  C8y C    30.4565  -25.2769
            34  C8y C    29.1962  -24.5767
            35  X   Cl   30.3865  -21.0759
            36  O2x O    30.1064  -26.6773
            37  C1x C    28.7761  -26.8173
            38  O2x O    28.1459  -25.4870
BOND        43
            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     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13   10  12 1
            14   12  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22    2  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   26  29 1
            33   13  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   13  34 1
            39   30  35 1
            40   33  36 1
            41   36  37 1
            42   37  38 1
            43   34  38 1

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