CHEMGRID MOLECULE CARD
METHOTREXATE(+/-)
METHOTREXATE(+/-) in ChemGrid: 205 screened assays, 47 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE01500398
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE01500398
- Molecular formula
- C20H22N8O5
- CAS registry number
- 60388-53-6
- InChIKey
- FBOZXECLQNJBKD-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, Spectrum_ED
- Other recorded names
- METHOTREXATE; 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
205 measurements across 205 distinct library–species–strain assays; 47 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.
| Strain | Library | Species identifier | Z-score |
|---|---|---|---|
| BY4743 | Spectrum_ED | 4932 | -60.43 |
| BY4741-3rd | Spectrum_ED | 4932 | -44.44 |
| kgd1 | Spectrum | 4932 | -42.41 |
| BY4741-2nd | Spectrum_ED | 4932 | -41.54 |
| mdh1 | Spectrum | 4932 | -39.65 |
| YKL085W | Spectrum | 4932 | -39.65 |
| tfp1 | Spectrum | 4932 | -35.93 |
| dbp3 | Spectrum | 4932 | -35.28 |
| bmi1 | Spectrum | 4932 | -35.04 |
| nup100 | Spectrum | 4932 | -33.26 |
| rad50 | Spectrum | 4932 | -31.92 |
| kar3 | Spectrum | 4932 | -30.60 |
Spectrum compound-combination identifiers are excluded from this short table. The interactive profile retains the full measurements.
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) |
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.