KEGG   DRUG: Ponatinib hydrochlorideHelp
Entry
D09951                      Drug                                   

Name
Ponatinib hydrochloride (JAN/USAN);
Iclusig (TN)
Product
Formula
C29H27F3N6O. HCl
Exact mass
568.1965
Mol weight
569.0204
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02021  Src inhibitor
Other
 DG02022  Non-receptor tyrosine kinase inhibitor
  DG02021  Src inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Chronic myeloid leukemia (Philadelphia chromosome positive) [DS:H00004]
Acute lymphoblastic leukemia (Philadelphia chromosome positive) [DS:H00001]
Target
BCR-ABL [HSA:25] [KO:K06619];
  Pathway
Pathways in cancer
Interaction
Genomic biomarker: BCR-ABL [HSA:613 25] fusion kinase with ALK mutation T315I
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE24 Ponatinib
      D09951  Ponatinib hydrochloride (JAN/USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Ponatinib
    D09951  Ponatinib hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09951  Ponatinib hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Ponatinib
      D09951  Ponatinib hydrochloride (JAN/USAN)
Antineoplastics [br08340.html]
 D09951
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09951
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09951
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09951
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09951
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D09951
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D09951
BRITE hierarchy
Other DBs
CAS: 
1114544-31-8
PubChem: 
ChEMBL: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        40
            1   X   Cl   31.8649  -28.2249
            2   N1y N    32.5500  -22.8200
            3   C1x C    32.5500  -24.2200
            4   C1x C    33.7400  -24.9200
            5   N1y N    35.0000  -24.2200
            6   C1x C    35.0000  -22.8200
            7   C1x C    33.7400  -22.1200
            8   C1a C    36.1900  -24.9200
            9   C1b C    31.2900  -22.1200
            10  C8y C    30.1700  -22.8200
            11  C8y C    28.9800  -22.1200
            12  C8x C    27.7200  -22.8200
            13  C8y C    27.7200  -24.2200
            14  C8x C    28.9100  -24.9200
            15  C8x C    30.1700  -24.2200
            16  C1d C    28.9800  -20.7200
            17  X   F    28.9800  -19.3200
            18  X   F    27.5800  -20.7200
            19  X   F    30.3800  -20.7200
            20  N1b N    26.5300  -24.9200
            21  C5a C    25.2700  -24.2200
            22  C8y C    24.0800  -24.9200
            23  O5a O    25.2700  -22.8200
            24  C8x C    22.8900  -24.2900
            25  C8y C    21.7000  -24.9900
            26  C8y C    21.7000  -26.3900
            27  C8x C    22.8900  -27.0200
            28  C8x C    24.0800  -26.3200
            29  C1a C    20.4400  -27.0900
            30  C3b C    20.4400  -24.2900
            31  C3b C    19.2500  -23.5900
            32  C8y C    18.0600  -22.8900
            33  C8x C    18.0600  -21.4900
            34  N5x N    16.6600  -21.0700
            35  C8y C    15.8900  -22.1900
            36  N4y N    16.7300  -23.3100
            37  C8x C    14.4900  -22.4000
            38  C8x C    13.9300  -23.6600
            39  C8x C    14.7700  -24.7800
            40  N5x N    16.1700  -24.6400
BOND        43
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     5   8 1
            8     2   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   10  15 2
            16   11  16 1
            17   16  17 1
            18   16  18 1
            19   16  19 1
            20   13  20 1
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24   22  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   22  28 1
            30   26  29 1
            31   25  30 1
            32   30  31 3
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   32  36 1
            39   35  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   36  40 1

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