Bioactive Compound Details
| Compound ID: | B126122 |
| Source ID: | CHEMBL34259 |
| Source Type: | Small molecule |
| Compound Name: | METHOTREXATE |
| Synonyms: | (R)-METHOTREXATE|ADX-2191|AMETHOPTERIN|Abitrexate|Amethopterin|CL 14377|CL-14377|D-AMETHOPTERIN|D-METHOTREXATE|EBETREX|EMT-25299|EMTEXATE HIGH-POT|EMTEXATE PF|Folex|MAXTREX|METHOTREXATE|METHOTREXATE, (R)-|METHOTREXATE, D-|METHOTREXATUM|METHYLAMINOPTERIN|METOJECT|Mexate|Mexate-AQ|NSC-740|OTREXUP|OTREXUP PFS|R-9985|R-METHOTREXATE|RASUVO|REDITREX|Rheumatrex|TCMDC-123832|TCMDC-125488|TCMDC-125858|Trexall|ZLATAL|methotrexate |
| Molecular Formula: | C20H22N8O5 |
| SMILES: | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
| Molecular Species: | ACID |
| Target ID | Target Name | GENE | Action | Class | UniProtKB ID | Entry Name | |
|---|---|---|---|---|---|---|---|
| T15 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | HMGCR | inhibitor | Enzyme | P04035 | HMDH_HUMAN | Details |
| T07 | Bile acid receptor | NR1H4 | agonist | Nuclear hormone receptor | Q96RI1 | NR1H4_HUMAN | Details |
| T10 | Caspase-1 | CASP1 | inhibitor | Enzyme | P29466 | CASP1_HUMAN | Details |
| T12 | Caspase-7 | CASP7 | inhibitor | Enzyme | P55210 | CASP7_HUMAN | Details |
| T24 | C-C chemokine receptor type 2 | CCR2 | antagonist | GPCR | P41597 | CCR2_HUMAN | Details |
| T25 | C-C chemokine receptor type 5 | CCR5 | antagonist | GPCR | P51681 | CCR5_HUMAN | Details |
| T17 | Farnesoid X-activated receptor | NR1H4 | agonist | Nuclear hormone receptor | Q96RI1 | NR1H4_HUMAN | Details |
| T04 | Peroxisome proliferator-activated receptor delta | PPARD | agonist | Nuclear hormone receptor | Q03181 | PPARD_HUMAN | Details |
| T05 | Peroxisome proliferator-activated receptor gamma | PPARG | agonist | Nuclear hormone receptor | P37231 | PPARG_HUMAN | Details |
| T45 | Arachidonate 12-lipoxygenase | ALOX12 | inhibitor | Enzyme | P18054 | LOX12_HUMAN | Details |