KEGG   DRUG: RebastinibHelp
Entry
D10334                      Drug                                   

Name
Rebastinib (USAN)
Formula
C30H28FN7O3
Exact mass
553.2238
Mol weight
553.5868
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 1020172-07-9
PubChem: 172232428
ChEMBL: CHEMBL1738757
PDB-CCD: 919[PDBj]
KCF data Show

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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