iGMDRD240

Canonical SMILES: CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC

InChI: InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)

InChI Key: UHTHHESEBZOYNR-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameVandetanib
CHEMBLCHEMBL24828 CHEMBL533849
Pubchem CID3081360
DRUGBANK IDDB05294
Drug StatusAlone
Drug TypeSmall Molecule


Drug-model tissue-cancer distribution: Bubble Plot

OVARtissue: OVAR cancer: OVARY model num: 0OVARYtissue: OVARY cancer: undefined model num: 1LIVEtissue: LIVE cancer: LIVER model num: 0LIVERtissue: LIVER cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 3OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 1LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: Lung Adenocarcinoma (LUAD) model num: 7LUNGtissue: LUNG cancer: Adenoid Cystic Carcinoma of the Lung (LUACC) model num: 5LUNGtissue: LUNG cancer: Non-Small Cell Lung Cancer (NSCLC) model num: 5THYROItissue: THYROI cancer: THYROID model num: 0THYROIDtissue: THYROID cancer: Medullary Thyroid Cancer (THME) model num: 5THYROIDtissue: THYROID cancer: Thyroid Cancer model num: 7

Drug-gene pathway enrichments

7reactome: Signal Transduction7reactome: Generic Transcription Pathway7reactome: RNA Polymerase II Transcription7reactome: Gene expression (Transcription)5reactome: Developmental Biology5reactome: Signaling by Receptor Tyrosine Kinases4kegg: Pathways in cancer - Homo sapiens (human)4reactome: Axon guidance3pid: Posttranslational regulation of adherens junction stability and dissassembly3kegg: Central carbon metabolism in cancer - Homo sapiens (human)

Drug-gene GO enrichments

11MF: protein tyrosine kinase activity8CC: nucleus6CC: cytosol6CC: cytoplasm6CC: plasma membrane5BP: peptidyl-tyrosine phosphorylation5MF: protein binding5BP: positive regulation of ERK1 and ERK2 cascade5BP: peptidyl-tyrosine autophosphorylation5MF: transmembrane receptor protein tyrosine kinase activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
10413 YAP1 1
1956 EGFR 1
5979 RET 10
208 AKT2 1
Showing 1 to 4 of 5 rows

Gene in drug-gene network: Network Plot

Models in Vandetanib

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
No matching records found

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