KEGG   DRUG: Rebastinib
Entry
D10334                      Drug                                   

Name
Rebastinib (USAN)
Formula
C30H28FN7O3
Exact mass
553.2238
Mol weight
553.5868
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Remark
Chemical structure group: DG01368
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
TEK (TIE2, CD202) [HSA:7010] [KO:K05121]
BCR-ABL [HSA:25] [KO:K06619]
  Pathway
hsa04066  HIF-1 signaling pathway
hsa04722  Neurotrophin signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   TIE family
    TEK (TIE2, CD202)
     D10334  Rebastinib (USAN)
  Non-receptor tyrosine kinases
   ABL family
    BCR-ABL
     D10334  Rebastinib (USAN)
Other DBs
CAS: 1020172-07-9
PubChem: 172232428
ChEMBL: CHEMBL1738757
PDB-CCD: 919[PDBj]
LinkDB
KCF data

ATOM        41
            1   N5x N    10.1500  -15.0500
            2   C8y C    10.1500  -13.6500
            3   C8x C    11.3400  -12.9500
            4   C8y C    12.6000  -13.6500
            5   C8x C    12.6000  -15.0500
            6   C8x C    11.3400  -15.7500
            7   O2a O    13.7900  -12.9500
            8   C8y C    14.9800  -13.6500
            9   C8x C    14.9800  -15.0500
            10  C8x C    16.2400  -12.9500
            11  C8y C    17.4300  -13.6500
            12  C8y C    17.4300  -15.0500
            13  C8x C    16.2400  -15.7500
            14  X   F    18.6200  -12.9500
            15  O5a O    19.8800  -13.6500
            16  C5a C    19.8800  -15.0500
            17  N1b N    18.6200  -15.7500
            18  N1b N    21.0700  -15.7500
            19  C8y C    22.2881  -15.0599
            20  N4y N    23.5354  -15.7674
            21  N5x N    24.4606  -14.7566
            22  C8y C    23.7851  -13.5643
            23  C8x C    22.4425  -13.8382
            24  C8y C    23.5407  -17.1309
            25  C8x C    22.3072  -17.8494
            26  C8x C    22.3126  -19.2494
            27  C8y C    23.5277  -19.9447
            28  C8y C    24.7612  -19.2262
            29  C8x C    24.7558  -17.8262
            30  N5x N    23.5331  -21.3447
            31  C8x C    24.7482  -22.0400
            32  C8x C    25.9817  -21.3215
            33  C8x C    25.9763  -19.9215
            34  C1d C    24.3616  -12.2976
            35  C1a C    25.7512  -12.1632
            36  C1a C    23.5581  -11.1724
            37  C1a C    24.9329  -11.0426
            38  C5a C     8.9347  -12.9549
            39  N1b N     7.7463  -13.6477
            40  C1a C     6.5499  -12.9635
            41  O5a O     8.9289  -11.5503
BOND        45
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    9  13 2
            15   11  14 1
            16   15  16 2
            17   16  17 1
            18   12  17 1
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   19  23 2
            26   20  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   24  29 1
            33   27  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   28  33 1
            38   22  34 1
            39   34  35 1
            40   34  36 1
            41   34  37 1
            42    2  38 1
            43   38  39 1
            44   39  40 1
            45   38  41 2

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