Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | set domain proteins, putative | 0.0261 | 0.199 | 0.4355 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.1153 | 1 | 1 |
Schistosoma mansoni | alpha-glucosidase | 0.0155 | 0.1032 | 0.1032 |
Echinococcus granulosus | survival motor neuron protein 1 | 0.0261 | 0.1986 | 0.1986 |
Brugia malayi | Glycosyl hydrolases family 31 protein | 0.018 | 0.1257 | 0.1257 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.018 | 0.1257 | 0.1257 |
Schistosoma mansoni | survival motor neuron protein | 0.0053 | 0.012 | 0.012 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0055 | 0.0136 | 0.0136 |
Onchocerca volvulus | 0.0104 | 0.0576 | 0.0462 | |
Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.023 | 0.1705 | 0.1705 |
Onchocerca volvulus | 0.0261 | 0.199 | 0.1893 | |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0055 | 0.0136 | 0.0136 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1153 | 1 | 0.5 |
Echinococcus granulosus | microtubule associated protein 2 | 0.0762 | 0.6483 | 0.6483 |
Schistosoma mansoni | microtubule-associated protein tau | 0.0762 | 0.6483 | 0.6483 |
Echinococcus multilocularis | survival motor neuron protein 1 | 0.0261 | 0.1986 | 0.1986 |
Schistosoma mansoni | alpha-glucosidase | 0.0155 | 0.1032 | 0.1032 |
Loa Loa (eye worm) | hypothetical protein | 0.0261 | 0.1986 | 0.1986 |
Brugia malayi | hypothetical protein | 0.0549 | 0.4569 | 0.4569 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0549 | 0.4569 | 1 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.018 | 0.1257 | 0.1257 |
Entamoeba histolytica | glycosyl hydrolase, family 31 protein | 0.004 | 0 | 0.5 |
Echinococcus granulosus | lysosomal alpha glucosidase | 0.018 | 0.1257 | 0.1257 |
Schistosoma mansoni | hypothetical protein | 0.0053 | 0.012 | 0.012 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.1153 | 1 | 1 |
Brugia malayi | Pre-SET motif family protein | 0.023 | 0.1705 | 0.1705 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.1153 | 1 | 0.5 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.1153 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0261 | 0.1986 | 0.1986 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1153 | 1 | 1 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.1153 | 1 | 1 |
Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.018 | 0.1257 | 0.1257 |
Echinococcus multilocularis | microtubule associated protein 2 | 0.0762 | 0.6483 | 0.6483 |
Entamoeba histolytica | glycosyl hydrolase, family 31 protein | 0.004 | 0 | 0.5 |
Echinococcus granulosus | thymidylate synthase | 0.1153 | 1 | 1 |
Echinococcus multilocularis | thymidylate synthase | 0.1153 | 1 | 1 |
Onchocerca volvulus | 0.1153 | 1 | 1 | |
Loa Loa (eye worm) | thymidylate synthase | 0.1153 | 1 | 1 |
Mycobacterium ulcerans | thymidylate synthase | 0.1153 | 1 | 0.5 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1153 | 1 | 1 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0055 | 0.0136 | 0.0136 |
Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0053 | 0.012 | 0.012 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase, putative | 0.0549 | 0.4569 | 0.4569 |
Loa Loa (eye worm) | hypothetical protein | 0.0055 | 0.0136 | 0.0136 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.1153 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC (ADMET) | = 0.22 ug hr ml-1 | Plasma drug AUC in rat (PO dose) | ChEMBL. | 9484509 |
CCIC50 (ADMET) | > 100 uM | Cytotoxicity was determined against uninfected MT-4 cells | ChEMBL. | 9484509 |
Cmax (ADMET) | = 0.47 uM | Plasma drug Cmax in rat (PO dose) | ChEMBL. | 9484509 |
EC50 (functional) | = 0.011 uM | Effective concentration required for the inhibition of HIV-1 IIIB in MT-4 cells | ChEMBL. | 9484509 |
F (ADMET) | = 3 % | Oral bioavailability in rat | ChEMBL. | 9484509 |
Inhibition (binding) | = 70 % | Inhibition of purified recombinant HIV-1 protease at 0.5 nm using a fluorogenic substrate | ChEMBL. | 9484509 |
Inhibition (binding) | = 70 % | Inhibition of purified recombinant HIV-1 protease at 0.5 nm using a fluorogenic substrate | ChEMBL. | 9484509 |
Ratio (functional) | = 43 | Ratio of peak plasma concentration (Cmax) of the compound/EC50 of the compound | ChEMBL. | 9484509 |
S | = 0.8 ug ml-1 | Solubility (buffer pH 7.4) | ChEMBL. | 9484509 |
S | = 13 ug ml-1 | Solubility (buffer pH 4) | ChEMBL. | 9484509 |
T max (ADMET) | = 0.25 hr | Plasma drug Tmax in rat (PO dose) | ChEMBL. | 9484509 |
T1/2 (ADMET) | = 0.68 hr | Plasma T1/2 in rat (IV dose) | ChEMBL. | 9484509 |
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.
1 literature reference was collected for this gene.