iGMDRD102
Canonical SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O
InChI: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
InChI Key: IVTVGDXNLFLDRM-HNNXBMFYSA-N
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Standard Name | CHEMBL | Pubchem CID | KEGG Drug ID | DRUGBANK ID | Drug Status | Drug targets (TTD) | Drug Type |
---|---|---|---|---|---|---|---|
Standard NameRaltitrexed CHEMBLCHEMBL225071 Pubchem CID104758 KEGG Drug IDD01064 DRUGBANK IDDB00293 Drug StatusAlone Drug targets (TTD)DAP000759 Drug TypeSmall Molecule |
Drug Class:
AntimetabolitesAntimetabolites, AntineoplasticAntineoplastic AgentsAntineoplastic and Immunomodulating AgentsEnzyme InhibitorsFolic Acid AnaloguesFolic Acid AntagonistsHeterocyclic CompoundsHeterocyclic Compounds, 1-RingHeterocyclic Compounds, 2-RingImmunosuppressive AgentsMyelosuppressive AgentsNoxaeSulfur CompoundsThymidylate Synthase, antagonists & inhibitorsToxic ActionsDrug-model tissue-cancer distribution: Bubble Plot
Drug-gene pathway enrichments
Drug-gene GO enrichments
Drug-Gene: Aster Plot
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Gene ID | Gene Name | Model Num. |
---|---|---|
7298 | TYMS | 1 |
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Gene in drug-gene network: Network Plot

Models in Raltitrexed
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Model | Level | Reference ID | Tissue | Cancer | Drug | Clinical Response | Source | |
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No matching records found |