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KEGG   DRUG: Tirbanibulin mesylate
Entry
D11692                      Drug                                   
Name
Tirbanibulin mesylate (USAN)
Formula
C26H29N3O3. CH4SO3
Exact mass
527.2090
Mol weight
527.63
Structure
Remark
ATC code: D06BX03
Chemical structure group: DG03082
Product (DG03082): D11691<US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor, Tyrosine kinase inhibitor
Target
SRC [HSA:6714] [KO:K05704]
TUBB [HSA:10381 10382 10383 203068 347688 347733 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BX Other chemotherapeutics
     D06BX03 Tirbanibulin
      D11692  Tirbanibulin mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D11692  Tirbanibulin mesylate (USAN)
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D11692  Tirbanibulin mesylate (USAN)
Other DBs
CAS: 1080645-95-9
PubChem: 405226558
LinkDB
KCF data

ATOM        37
            1   O2x O    29.4807  -17.5764
            2   C1x C    29.4807  -18.9769
            3   C1x C    28.2903  -19.6772
            4   N1y N    27.0298  -18.9769
            5   C1x C    27.0298  -17.5764
            6   C1x C    28.2903  -16.8761
            7   C1b C    25.8394  -19.6772
            8   C1b C    24.6490  -18.9769
            9   O2a O    23.4585  -19.6772
            10  C8y C    22.2681  -18.9769
            11  C8x C    21.0777  -19.6772
            12  C8x C    19.8172  -18.9769
            13  C8y C    19.8172  -17.5764
            14  C8x C    21.0076  -16.8761
            15  C8x C    22.2681  -17.5764
            16  C8y C    18.6268  -16.8761
            17  C8x C    17.4363  -17.5764
            18  C8x C    16.1759  -16.8761
            19  C8y C    16.1759  -15.4756
            20  N5x N    17.3663  -14.7754
            21  C8x C    18.6268  -15.4756
            22  C1b C    14.9854  -14.7754
            23  C5a C    13.7950  -15.4756
            24  N1b N    12.6046  -14.7754
            25  O5a O    13.7950  -16.8761
            26  C1b C    11.4141  -15.4756
            27  C8y C    10.2237  -14.7754
            28  C8x C     9.0333  -15.4756
            29  C8x C     7.7728  -14.7754
            30  C8x C     7.7728  -13.3749
            31  C8x C     8.9633  -12.6746
            32  C8x C    10.2237  -13.3749
            33  S4a S    33.6000  -17.9900
            34  O1d O    33.6000  -16.5900
            35  O1d O    33.6000  -19.3900
            36  C1a C    32.2000  -17.9900
            37  O1d O    35.0000  -17.9900
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   13  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   33  34 2
            37   33  35 2
            38   33  36 1
            39   33  37 1

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