KEGG   DRUG: Vandetanib
Entry
D06407                      Drug                                   
Name
Vandetanib (JAN/USAN/INN);
Caprelsa (TN)
Product
CAPRELSA (Genzyme Corporation)
Formula
C22H24BrFN4O2
Exact mass
474.1067
Mol weight
475.354
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter inhibitor
 DG01622  ABCB1 inhibitor
 DG02863  SLC22A2 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EX04
Product: D06407<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Medullary thyroid cancer [DS:H01592]
Target
EGFR [HSA:1956] [KO:K04361]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
RET [HSA:5979] [KO:K05126]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
hsa05216  Thyroid cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Transporter inhibition: SLC22A2 [HSA:6582], ABCB1 [HSA:5243]
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX04 Vandetanib
      D06407  Vandetanib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Vandetanib
    D06407  Vandetanib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D06407  Vandetanib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    D06407  Vandetanib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D06407  Vandetanib
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D06407  Vandetanib
  DG02863  SLC22A2 inhibitor
   D06407  Vandetanib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D06407  Vandetanib (JAN/USAN/INN) <JP/US>
   VEGFR family
    VEGFR2 (KDR)
     D06407  Vandetanib (JAN/USAN/INN) <JP/US>
   RET family
    RET
     D06407  Vandetanib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D06407
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D06407
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06407
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06407
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06407
 Drug transporters
  D06407
Other DBs
CAS: 443913-73-3
PubChem: 47208064
ChEBI: 49960
PDB-CCD: ZD6[PDBj]
LigandBox: D06407
NIKKAJI: J1.720.281B
LinkDB
KCF data

ATOM        30
            1   N1y N    27.1600  -17.7800
            2   C1x C    27.1600  -19.1800
            3   C1x C    25.9700  -19.8800
            4   C1y C    24.7100  -19.1800
            5   C1x C    24.7100  -17.7800
            6   C1x C    25.9700  -17.0800
            7   C1b C    23.5200  -19.8800
            8   O2a O    22.3300  -19.1800
            9   C8y C    21.1400  -19.8800
            10  C8y C    21.1400  -21.2800
            11  C8x C    19.8800  -21.9800
            12  C8y C    18.6900  -21.2800
            13  C8y C    18.6900  -19.8800
            14  C8x C    19.8800  -19.1800
            15  C8y C    17.5000  -21.9800
            16  N5x N    16.2400  -21.2800
            17  C8x C    16.2400  -19.8800
            18  N5x N    17.5000  -19.1800
            19  N1b N    17.5000  -23.3800
            20  C8y C    18.6900  -24.0800
            21  C8x C    19.8800  -23.3800
            22  C8x C    21.1400  -24.0800
            23  C8y C    21.1400  -25.4800
            24  C8x C    19.9500  -26.1800
            25  C8y C    18.6900  -25.4800
            26  X   Br   22.3300  -26.1800
            27  X   F    17.5000  -26.1800
            28  O2a O    22.3300  -21.9800
            29  C1a C    23.5200  -21.2800
            30  C1a C    28.3500  -17.0800
BOND        33
            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    9  14 2
            16   12  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   15  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   20  25 2
            29   23  26 1
            30   25  27 1
            31   10  28 1
            32   28  29 1
            33    1  30 1

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