Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus granulosus | biogenic amine 5HT receptor | 0.0106834 | 0.0946761 | 0.0946761 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.0124815 | 0.121715 | 0.232098 |
Brugia malayi | Carboxylesterase family protein | 0.0268295 | 0.337489 | 1 |
Brugia malayi | WGR domain containing protein | 0.0124815 | 0.121715 | 0.356481 |
Echinococcus granulosus | BC026374 protein S09 family | 0.00453326 | 0.0021865 | 0.0021865 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0268295 | 0.337489 | 0.347203 |
Echinococcus granulosus | hypothetical protein | 0.0708838 | 1 | 1 |
Echinococcus granulosus | poly adp ribose polymerase 2 | 0.007761 | 0.0507268 | 0.0507268 |
Echinococcus multilocularis | poly (ADP ribose) polymerase 1 | 0.0124815 | 0.121715 | 0.123771 |
Onchocerca volvulus | 0.00602231 | 0.0245795 | 1 | |
Trypanosoma cruzi | poly(ADP-ribose) polymerase, putative | 0.007761 | 0.0507268 | 0.5 |
Echinococcus multilocularis | poly (adp ribose) polymerase 2 | 0.007761 | 0.0507268 | 0.0502631 |
Loa Loa (eye worm) | solute carrier family 6 member 4 | 0.00602231 | 0.0245795 | 0.0667843 |
Echinococcus granulosus | acetylcholinesterase | 0.0268295 | 0.337489 | 0.337489 |
Loa Loa (eye worm) | poly(ADP-ribose) polymerase | 0.00556706 | 0.0177333 | 0.0463664 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.00453326 | 0.0021865 | 0.5 |
Trypanosoma cruzi | poly(ADP-ribose) polymerase, putative | 0.007761 | 0.0507268 | 0.5 |
Echinococcus granulosus | poly ADP ribose polymerase 1 | 0.0124815 | 0.121715 | 0.121715 |
Echinococcus multilocularis | biogenic amine (5HT) receptor | 0.0387782 | 0.51718 | 0.533271 |
Echinococcus granulosus | carboxylesterase 5A | 0.0268295 | 0.337489 | 0.337489 |
Loa Loa (eye worm) | hypothetical protein | 0.0268295 | 0.337489 | 1 |
Echinococcus granulosus | acetylcholinesterase | 0.0268295 | 0.337489 | 0.337489 |
Loa Loa (eye worm) | hypothetical protein | 0.0268295 | 0.337489 | 1 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.00453326 | 0.0021865 | 0.5 |
Echinococcus multilocularis | serotonin transporter | 0.00602231 | 0.0245795 | 0.0231877 |
Loa Loa (eye worm) | serotonin transporter b | 0.00602231 | 0.0245795 | 0.0667843 |
Loa Loa (eye worm) | hypothetical protein | 0.00910832 | 0.0709886 | 0.205194 |
Brugia malayi | WGR domain containing protein | 0.007761 | 0.0507268 | 0.144766 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0268295 | 0.337489 | 0.651082 |
Entamoeba histolytica | poly(ADP-ribose) polymerase, putative | 0.0124815 | 0.121715 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.00602231 | 0.0245795 | 0.0667843 |
Loa Loa (eye worm) | hypothetical protein | 0.0106834 | 0.0946761 | 0.275839 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.00453326 | 0.0021865 | 0.5 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.00453326 | 0.0021865 | 0.5 |
Toxoplasma gondii | poly(ADP-ribose) polymerase catalytic domain-containing protein | 0.0128656 | 0.127493 | 0.5 |
Trypanosoma brucei | poly(adp-ribose) polymerase | 0.007761 | 0.0507268 | 0.5 |
Loa Loa (eye worm) | norepinephrine transporter | 0.00602231 | 0.0245795 | 0.0667843 |
Loa Loa (eye worm) | hypothetical protein | 0.00602231 | 0.0245795 | 0.0667843 |
Echinococcus multilocularis | serotonin receptor | 0.0106834 | 0.0946761 | 0.0957722 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.00453326 | 0.0021865 | 0.0021865 |
Echinococcus multilocularis | acetylcholinesterase | 0.0268295 | 0.337489 | 0.347203 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.00671344 | 0.0349732 | 0.0636642 |
Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0106834 | 0.0946761 | 0.179594 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.00453326 | 0.0021865 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.0268295 | 0.337489 | 0.347203 |
Loa Loa (eye worm) | carboxylesterase | 0.0268295 | 0.337489 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0106834 | 0.0946761 | 0.275839 |
Brugia malayi | Carboxylesterase family protein | 0.0268295 | 0.337489 | 1 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0268295 | 0.337489 | 1 |
Schistosoma mansoni | biogenic amine (5HT) receptor | 0.0387782 | 0.51718 | 1 |
Echinococcus multilocularis | serotonin receptor | 0.0106834 | 0.0946761 | 0.0957722 |
Schistosoma mansoni | sodium/chloride dependent transporter | 0.00602231 | 0.0245795 | 0.0434821 |
Loa Loa (eye worm) | hypothetical protein | 0.007761 | 0.0507268 | 0.144766 |
Treponema pallidum | sodium- and chloride- dependent transporter | 0.00602231 | 0.0245795 | 0.5 |
Echinococcus granulosus | neuroligin | 0.00453326 | 0.0021865 | 0.0021865 |
Echinococcus granulosus | biogenic amine 5HT receptor | 0.0387782 | 0.51718 | 0.51718 |
Loa Loa (eye worm) | hypothetical protein | 0.00602231 | 0.0245795 | 0.0667843 |
Schistosoma mansoni | norepinephrine/norepinephrine transporter | 0.00602231 | 0.0245795 | 0.0434821 |
Schistosoma mansoni | poly [ADP-ribose] polymerase | 0.007761 | 0.0507268 | 0.0942543 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.00453326 | 0.0021865 | 0.0021865 |
Echinococcus multilocularis | conserved hypothetical protein | 0.06875 | 0.967912 | 1 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.00453326 | 0.0021865 | 0.5 |
Brugia malayi | Sodium:neurotransmitter symporter family protein | 0.00602231 | 0.0245795 | 0.0667843 |
Echinococcus granulosus | serotonin transporter | 0.00602231 | 0.0245795 | 0.0245795 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 92 nM | Antimalarial activity against mefloquine-resistant Plasmodium falciparum TM91C235 assessed as [3H]hypoxanthine incorporation after 48 hrs | ChEMBL. | 22148880 |
IC50 (ADMET) | = 49 uM | Cytotoxicity against human HepG2 cells after 24 hrs by MTS assay | ChEMBL. | 22148880 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 | 22148880 |
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.