Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Probable DNA topoisomerase II | 0.004 | 0.217 | 0.3421 |
Trypanosoma brucei | DNA topoisomerase ii | 0.004 | 0.217 | 1 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0039 | 0.2119 | 0.3341 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.004 | 0.217 | 0.3421 |
Brugia malayi | bZIP transcription factor family protein | 0.0091 | 0.6342 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.01 | 0.0164 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.004 | 0.217 | 0.3534 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.2566 | 0.4179 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0039 | 0.2119 | 0.4274 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.01 | 0.0164 |
Schistosoma mansoni | hypothetical protein | 0.0074 | 0.4958 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0072 | 0.476 | 0.4707 |
Mycobacterium ulcerans | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.2328 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.039 | 0.0635 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.2089 | 0.3402 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | 0.0091 | 0.6342 | 1 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.2566 | 0.4046 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.004 | 0.217 | 0.3421 |
Mycobacterium tuberculosis | DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 0.0136 | 1 | 1 |
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.2566 | 0.4046 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.004 | 0.217 | 0.3421 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | 0.0091 | 0.6342 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0039 | 0.2119 | 0.4274 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0039 | 0.2119 | 0.3341 |
Treponema pallidum | DNA gyrase, subunit A (gyrA) | 0.0136 | 1 | 1 |
Plasmodium falciparum | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0072 | 0.476 | 0.4707 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0072 | 0.476 | 0.3308 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.004 | 0.217 | 0.3421 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0072 | 0.476 | 0.3308 |
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 |
Brugia malayi | hypothetical protein | 0.0072 | 0.4755 | 0.7498 |
Plasmodium vivax | DNA gyrase subunit A, putative | 0.0136 | 1 | 1 |
Echinococcus multilocularis | jun protein | 0.0091 | 0.6342 | 1 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Schistosoma mansoni | jun-related protein | 0.0074 | 0.4958 | 1 |
Toxoplasma gondii | DNA gyrase/topoisomerase IV, A subunit domain-containing protein | 0.0136 | 1 | 1 |
Giardia lamblia | DNA topoisomerase II | 0.0036 | 0.1892 | 0.5 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0039 | 0.2119 | 0.3341 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Echinococcus granulosus | jun protein | 0.0091 | 0.6342 | 1 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.2897 | 0.5845 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.039 | 0.0635 |
Loa Loa (eye worm) | hypothetical protein | 0.0089 | 0.6139 | 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 |
Schistosoma mansoni | DNA topoisomerase II | 0.004 | 0.217 | 0.4377 |
Onchocerca volvulus | 0.0072 | 0.4755 | 1 | |
Toxoplasma gondii | DNA topoisomerase 2, putative | 0.004 | 0.217 | 0.1278 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.2566 | 0.4046 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.2897 | 0.5845 |
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.