KEGG   DRUG: NilotinibHelp
Entry
D08953                      Drug                                   

Name
Nilotinib (USAN/INN)
Formula
C28H22F3N7O
Exact mass
529.1838
Mol weight
529.5158
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Cyp substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Transporter substrate
 DG01665  P-glycoprotein substrate
Remark
ATC code: 
Chemical group: 
Activity
Antineoplastic
Comment
Indications: Philadelphia chromosome positive chronic myeloid leukemia (Ph+ CML)
UGT1A1 (TA)7/(TA)7 genotype (UGT1A1*28) was associated with a increase in the risk of hyperbilirubinemia. Therefor, Nilotinib is used for UGT1A1*28 negative patients.
Target
BCR-ABL [HSA:25] [KO:K06619];
PDGFRA [HSA:5156] [KO:K04363];
PDGFRB [HSA:5159] [KO:K05089];
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
MAPK signaling pathway
ErbB signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Cell cycle
Pathways in cancer
Chronic myeloid leukemia
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558]
Transporter: ABCB1 [HSA:5243]
Interaction
Genomic biomarker: BCR-ABL [HSA:613 25], UGT1A1 [HSA:54658]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE08 Nilotinib
      D08953  Nilotinib (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Nilotinib
    D08953  Nilotinib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRA tyrosine kinase
     Nilotinib
      D08953  Nilotinib (USAN/INN)
    PDGFRB tyrosine kinase
     Nilotinib
      D08953  Nilotinib (USAN/INN)
    c-KIT tyrosine kinase
     Nilotinib
      D08953  Nilotinib (USAN/INN)
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Nilotinib
      D08953  Nilotinib (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Nilotinib
    D08953  Nilotinib (USAN/INN)
 CYP substrates
  CYP2C8
   Nilotinib
    D08953  Nilotinib (USAN/INN)
  CYP3A4
   Nilotinib
    D08953  Nilotinib (USAN/INN)
 Transporter substrates
  ABCB1
   Nilotinib
    D08953  Nilotinib (USAN/INN)
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D08953
BRITE hierarchy
Other DBs
CAS: 
641571-10-0
PubChem: 
PDB-CCD: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        39
            1   C8y C    24.8105  -17.2351
            2   C8x C    24.8105  -15.8338
            3   C8y C    23.6194  -15.1331
            4   C8x C    22.3582  -15.8338
            5   C8y C    22.3582  -17.2351
            6   C8x C    23.6194  -17.9357
            7   N1b N    21.1671  -17.9357
            8   C5a C    19.9760  -17.2351
            9   C8y C    18.7849  -17.9357
            10  C8x C    17.5237  -17.2351
            11  C8y C    16.3326  -17.9357
            12  C8y C    16.3326  -19.3370
            13  C8x C    17.5237  -20.0377
            14  C8x C    18.7849  -19.3370
            15  N1b N    15.1415  -17.3051
            16  C8y C    13.8804  -18.0058
            17  N5x N    12.6892  -17.3051
            18  C8y C    11.4981  -18.0058
            19  C8x C    11.4981  -19.4071
            20  C8x C    12.6892  -20.1077
            21  N5x N    13.8804  -19.4071
            22  C8y C    10.1669  -17.3051
            23  C8x C    10.1669  -15.9038
            24  N5x N     8.9758  -15.2032
            25  C8x C     7.7847  -15.9038
            26  C8x C     7.7847  -17.3051
            27  C8x C     8.9758  -18.0058
            28  C1a C    15.1415  -20.0377
            29  O5a O    19.9760  -15.8338
            30  C8x C    26.0016  -19.3370
            31  N4y N    26.0016  -17.9357
            32  N5x N    27.4029  -19.7574
            33  C8y C    28.1736  -18.6364
            34  C8x C    27.3328  -17.5153
            35  C1d C    23.6193  -13.7318
            36  X   F    22.2180  -13.7318
            37  C1a C    29.5749  -18.6364
            38  X   F    25.0206  -13.7318
            39  X   F    23.6193  -12.3305
BOND        43
            1    18  19 2
            2    19  20 1
            3    20  21 2
            4    21  16 1
            5     3   4 2
            6    18  22 1
            7     4   5 1
            8     5   6 2
            9     6   1 1
            10    9  10 2
            11   10  11 1
            12   22  23 2
            13   23  24 1
            14   24  25 2
            15   25  26 1
            16   26  27 2
            17   27  22 1
            18   11  12 2
            19   12  13 1
            20   13  14 2
            21   14   9 1
            22   11  15 1
            23    5   7 1
            24   15  16 1
            25    7   8 1
            26   12  28 1
            27    1   2 2
            28    8   9 1
            29    2   3 1
            30   16  17 2
            31   17  18 1
            32    8  29 2
            33   30  31 1
            34    1  31 1
            35   30  32 2
            36   32  33 1
            37   33  34 2
            38   31  34 1
            39    3  35 1
            40   35  36 1
            41   33  37 1
            42   35  38 1
            43   35  39 1

» Japanese version   » Back

DBGET integrated database retrieval system