Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0109763 | 1 | 0.5 |
Mycobacterium ulcerans | dihydrofolate reductase DfrA | 0.00831523 | 0.698473 | 0.828467 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0109763 | 1 | 1 |
Echinococcus granulosus | dihydrofolate reductase | 0.00831523 | 0.698473 | 1 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0109763 | 1 | 0.5 |
Mycobacterium ulcerans | thymidylate synthase | 0.00779698 | 0.639751 | 0.758816 |
Trichomonas vaginalis | conserved hypothetical protein | 0.00370925 | 0.176573 | 0.5 |
Mycobacterium leprae | PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT | 0.00959154 | 0.843091 | 1 |
Onchocerca volvulus | 0.00779698 | 0.639751 | 1 | |
Echinococcus multilocularis | dihydrofolate reductase | 0.00831523 | 0.698473 | 1 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.00779698 | 0.639751 | 0.915928 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.00779698 | 0.639751 | 0.758816 |
Mycobacterium leprae | DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) | 0.00831523 | 0.698473 | 0.828467 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.0109763 | 1 | 0.5 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.00831523 | 0.698473 | 1 |
Mycobacterium tuberculosis | Hypothetical protein | 0.00370925 | 0.176573 | 0.252799 |
Brugia malayi | Dihydrofolate reductase | 0.00831523 | 0.698473 | 1 |
Wolbachia endosymbiont of Brugia malayi | phosphoribosylamine--glycine ligase | 0.00959154 | 0.843091 | 1 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0109763 | 1 | 0.5 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0109763 | 1 | 0.5 |
Brugia malayi | dihydrofolate reductase family protein | 0.00831523 | 0.698473 | 1 |
Schistosoma mansoni | dihydrofolate reductase | 0.00831523 | 0.698473 | 1 |
Chlamydia trachomatis | dihydrofolate reductase | 0.00831523 | 0.698473 | 0.5 |
Mycobacterium tuberculosis | Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) | 0.00831523 | 0.698473 | 1 |
Brugia malayi | thymidylate synthase | 0.00779698 | 0.639751 | 0.887484 |
Mycobacterium ulcerans | phosphoribosylamine--glycine ligase | 0.00959154 | 0.843091 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (functional) | > 100 uM | Huh7 cytotoxicity for Pf inhibitors | Novartis-GNF Malaria Box. | No reference |
CC50 | > 100 uM | NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) | ChEMBL. | 18579783 |
EC50 (functional) | = 1.558 uM | PF proliferation inhibition 3D7 | Novartis-GNF Malaria Box. | No reference |
EC50 (functional) | = 1.558 uM | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | ChEMBL. | 18579783 |
EC50 (functional) | = 3.41 uM | W2 Pf proliferation inhibition | Novartis-GNF Malaria Box. | No reference |
EC50 (functional) | = 3.41 uM | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | ChEMBL. | 18579783 |
IC50 (functional) | = 3.012 uM | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration | ChEMBL. | 22096101 |
IFI promiscuity index | = 0 | IFI promiscuity index | Novartis-GNF Malaria Box. | No reference |
Schizont size (functional) | = 93.21 um | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration | ChEMBL. | 22096101 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 | 18579783 | |
Plasmodium yoelii | ChEMBL23 | 22096101 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.