KEGG   DRUG: Vandetanib
Entry
D06407                      Drug                                   

Name
Vandetanib (JAN/USAN/INN);
Caprelsa (TN)
Product
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)
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
ChEMBL: CHEMBL24828
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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