CHEMGRID MOLECULE CARD
Methotrexate
Methotrexate in ChemGrid: 24 screened assays, 0 with significant responses. Explore chemical identifiers, strain activity and target evidence.
LOPAC 00676
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- LOPAC 00676
- Molecular formula
- C20H22N8O5
- InChIKey
- FBOZXECLQNJBKD-UHFFFAOYSA-N
- Libraries
- Lopac
- Other recorded names
- Methotrexate, (A+-)-
Stored SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=OMatched external records: PubChem 4112
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
24 measurements across 24 distinct library–species–strain assays; 0 assays have at least one significant response (|Z| ≥ 4, p ≤ 0.001, excluding flagged outliers).
Responses are indirect screening phenotypes. They do not establish that a strain gene is a direct molecular target. Strains and timepoints are retained as recorded; these counts are not counts of unique ORFs.
Recorded target evidence and yeast matches
Source annotations are shown separately from SONAR hypotheses. Evidence type and identity matching can vary; consult the linked source and interactive evidence panel.
| Target | Source | Yeast ORF / orthologue |
|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | ChEMBL | No stored yeast mapping |
| NCOA3 · Nuclear receptor coactivator 3 | ChEMBL | No stored yeast mapping |
| NFE2L2 · Nuclear factor erythroid 2-related factor 2 | ChEMBL | No stored yeast mapping |
| POLI · DNA polymerase iota | ChEMBL | No stored yeast mapping |
| PTR1 · Pteridine reductase 1 | ChEMBL | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | ChEMBL | No stored yeast mapping |
| Tb08.26N11.790 · Pteridine reductase, putative | ChEMBL | No stored yeast mapping |
| TP53 · Cellular tumor antigen p53 | ChEMBL | No stored yeast mapping |
| Txnrd1 · Thioredoxin reductase 1, cytoplasmic | ChEMBL | TRR1 YDR353W (ortholog_many2many); TRR2 YHR106W (ortholog_many2many) |
| Bifunctional dihydrofolate reductase-thymidylate synthase | ChEMBL analogue | No stored yeast mapping |
| NCOA3 · Nuclear receptor coactivator 3 | ChEMBL analogue | No stored yeast mapping |
| NFE2L2 · Nuclear factor erythroid 2-related factor 2 | ChEMBL analogue | No stored yeast mapping |
| POLI · DNA polymerase iota | ChEMBL analogue | No stored yeast mapping |
| PTR1 · Pteridine reductase 1 | ChEMBL analogue | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | ChEMBL analogue | No stored yeast mapping |
| Tb08.26N11.790 · Pteridine reductase, putative | ChEMBL analogue | No stored yeast mapping |
| TP53 · Cellular tumor antigen p53 | ChEMBL analogue | No stored yeast mapping |
| Txnrd1 · Thioredoxin reductase 1, cytoplasmic | ChEMBL analogue | TRR1 YDR353W (ortholog_many2many); TRR2 YHR106W (ortholog_many2many) |
| Inhibitor | ChemGrid bioactivity_info | No stored yeast mapping |
Structural activity predictions and SONAR
Stored structural activity predictions are available in the interactive profile, with assay-specific cutoffs and applicability-domain assessments.
SONAR ranks candidate targets through genetic and physical interaction evidence. Structural SONAR uses predicted strain responses; measured SONAR uses experimental responses. These are experimental hypotheses, not confirmed binding targets. Outside-domain predictions are treated as unknown.
Open the complete Methotrexate research profile →Sources and provenance
Screening measurements: ChemGrid chemical-genetic datasets. Wildenhain et al., Cell Systems (2015). Target annotations: sources named in the evidence table. Structure and library metadata: stored ChemGrid catalogue records.
Card snapshot: 2026-11-02. Linked interactive views may contain newer data.