iGMDRD112

Canonical SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameMethotrexate
CHEMBLCHEMBL3244648 CHEMBL34259 CHEMBL1376974
Pubchem CID126941
KEGG Drug IDD02115
DRUGBANK IDDB00563
Drug StatusAlone
Drug targets (TTD)DNC000933
Drug TypeSmall Molecule




Drug-model tissue-cancer distribution: Bubble Plot

BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 49OVARtissue: OVAR cancer: OVARY model num: 0OVARYtissue: OVARY cancer: undefined model num: 1LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 1LYMPtissue: LYMP cancer: LYMPH model num: 0LYMPHtissue: LYMPH cancer: Diffuse Large B-Cell Lymphoma (DLBCL) model num: 1BONtissue: BON cancer: BONE model num: 0BONEtissue: BONE cancer: Acute Myeloid Leukemia (AML) model num: 1

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
8266 UBL4A 1
9757 KMT2B 1
1387 CREBBP 1
1111 CHEK1 1
Showing 1 to 4 of 30 rows rows per page

Gene in drug-gene network: Network Plot

Models in Methotrexate

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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