KEGG   DRUG: DabrafenibHelp
Entry
D10064                      Drug                                   

Name
Dabrafenib (USAN)
Formula
C23H20F3N5O2S2
Exact mass
519.1011
Mol weight
519.5624
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Enzyme substrate
 DG01633  CYP3A substrate
Enzyme inducer
 DG02886  CYP2C9 inducer
 DG02853  CYP3A inducer
  DG01635  CYP3A4 inducer
 DG01635  CYP3A4 inducer
Remark
ATC code: L01XE23
Chemical structure group: DG00721
Product (DG00721): D10104<JP/US>
Efficacy
Antineoplastic, BRAF kinase inhibitor
Target
BRAF [HSA:673] [KO:K04365]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558]
Interaction
CYP induction: CYP3A4 [HSA:1576], CYP2C9 [HSA:1559]
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
     L01XE23 Dabrafenib
      D10064  Dabrafenib (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dabrafenib
    D10064  Dabrafenib (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   RAF family
    BRAF
     D10064  Dabrafenib (USAN)
BRITE hierarchy
Other DBs
CAS: 1195765-45-7
PubChem: 135626784
ChEBI: 75045
ChEMBL: CHEMBL2028663
PDB-CCD: P06[PDBj]
LigandBox: D10064
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    26.9500  -34.2300
            2   C8y C    26.9500  -35.6300
            3   C8x C    28.1624  -36.3300
            4   C8x C    29.3749  -35.6300
            5   C8x C    29.3749  -34.2300
            6   C8y C    28.1624  -33.5300
            7   X   F    28.1624  -32.1302
            8   X   F    25.7376  -36.3300
            9   S4a S    25.7376  -33.5300
            10  N1b N    24.5421  -34.2204
            11  C8y C    23.3547  -33.5349
            12  C8x C    23.3546  -32.1302
            13  C8x C    22.1421  -31.4303
            14  C8x C    20.9297  -32.1304
            15  C8y C    20.9298  -33.5351
            16  C8y C    22.1423  -34.2350
            17  X   F    22.1424  -35.6298
            18  C8y C    19.7198  -34.2339
            19  N5x N    18.5913  -33.4297
            20  C8y C    17.4817  -34.2554
            21  S2x S    17.9241  -35.5658
            22  C8y C    19.3071  -35.5500
            23  C8y C    20.1516  -36.6862
            24  C8x C    19.4315  -37.8755
            25  C8x C    20.1072  -39.1017
            26  N5x N    21.5069  -39.1296
            27  C8y C    22.2263  -37.9391
            28  N5x N    21.5506  -36.7130
            29  C1d C    16.1552  -33.8409
            30  C1a C    15.1487  -34.7675
            31  C1a C    15.8425  -32.4488
            32  C1a C    14.8029  -33.4785
            33  N1a N    23.6597  -37.9677
            34  O3c O    24.7477  -32.5401
            35  O3c O    26.7275  -32.5401
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     2   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   16  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   18  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   23  28 2
            32   20  29 1
            33   29  30 1
            34   29  31 1
            35   29  32 1
            36   27  33 1
            37    9  34 2
            38    9  35 2

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