Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.2566 | 0.4046 |
Mycobacterium leprae | Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) | 0.0065 | 0.4219 | 0.5 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0039 | 0.2119 | 0.3341 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Brugia malayi | hypothetical protein | 0.0072 | 0.4755 | 0.7498 |
Toxoplasma gondii | DNA gyrase/topoisomerase IV, A subunit domain-containing protein | 0.0136 | 1 | 1 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.004 | 0.217 | 0.3421 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.01 | 0.0164 |
Brugia malayi | Probable DNA topoisomerase II | 0.004 | 0.217 | 0.3421 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.2897 | 0.5845 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.004 | 0.217 | 0.3534 |
Plasmodium falciparum | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0039 | 0.2119 | 0.4274 |
Toxoplasma gondii | DNA topoisomerase 2, putative | 0.004 | 0.217 | 0.1278 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0072 | 0.476 | 0.3308 |
Echinococcus granulosus | jun protein | 0.0091 | 0.6342 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.2089 | 0.3402 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.2897 | 0.5845 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.004 | 0.217 | 0.3421 |
Brugia malayi | hypothetical protein | 0.0039 | 0.2119 | 0.3341 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.2328 | 1 |
Leishmania major | mitochondrial DNA topoisomerase II | 0.004 | 0.217 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0072 | 0.476 | 0.4707 |
Giardia lamblia | DNA topoisomerase II | 0.0036 | 0.1892 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0089 | 0.6139 | 1 |
Echinococcus multilocularis | jun protein | 0.0091 | 0.6342 | 1 |
Schistosoma mansoni | jun-related protein | 0.0074 | 0.4958 | 1 |
Treponema pallidum | DNA gyrase, subunit A (gyrA) | 0.0136 | 1 | 1 |
Mycobacterium ulcerans | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Brugia malayi | bZIP transcription factor family protein | 0.0091 | 0.6342 | 1 |
Plasmodium vivax | DNA gyrase subunit A, putative | 0.0136 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.01 | 0.0164 |
Trypanosoma brucei | DNA topoisomerase ii | 0.004 | 0.217 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0039 | 0.2119 | 0.4274 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | 0.0091 | 0.6342 | 1 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.039 | 0.0635 |
Schistosoma mansoni | hypothetical protein | 0.0074 | 0.4958 | 1 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.2566 | 0.4046 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.2566 | 0.4046 |
Mycobacterium tuberculosis | DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 0.0136 | 1 | 1 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.004 | 0.217 | 0.3421 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0072 | 0.476 | 0.4707 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.039 | 0.0635 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0072 | 0.476 | 0.3308 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | 0.0091 | 0.6342 | 1 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.2566 | 0.4179 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.004 | 0.217 | 0.3421 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0039 | 0.2119 | 0.3341 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.2328 | 1 |
Schistosoma mansoni | DNA topoisomerase II | 0.004 | 0.217 | 0.4377 |
Onchocerca volvulus | 0.0072 | 0.4755 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC/dose (ADMET) | = 0.68 uM.hr | Dose normalized AUC in C57BL/6 mouse at 1 mg/kg, iv and 2 mg/kg, po | ChEMBL. | 24900889 |
Fu (ADMET) | > 25 % | Unbound fraction in human plasma | ChEMBL. | 24900889 |
IC50 (binding) | Inhibition of Staphylococcus aureus DNA gyrase | ChEMBL. | 24900889 | |
MIC (functional) | = 4 ug ml-1 | Antibacterial activity against Escherichia coli | ChEMBL. | 24900889 |
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.