Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | sodium channel, voltage-gated, type IX, alpha subunit | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | irregular chiasm roughest protein immunoglobulin set domain containing protein | 0.0076 | 0.0051 | 0.0054 |
Trypanosoma cruzi | deoxyuridine triphosphatase, putative | 0.0367 | 0.069 | 0.0618 |
Mycobacterium ulcerans | dihydrofolate reductase DfrA | 0.0464 | 0.0902 | 0.0581 |
Brugia malayi | hypothetical protein | 0.0097 | 0.0097 | 0.0101 |
Mycobacterium tuberculosis | Hypothetical protein | 0.2074 | 0.4439 | 0.4474 |
Echinococcus multilocularis | dihydrofolate reductase | 0.0464 | 0.0902 | 0.0954 |
Echinococcus multilocularis | Immunoglobulin | 0.0076 | 0.0051 | 0.0054 |
Trichomonas vaginalis | conserved hypothetical protein | 0.2074 | 0.4439 | 1 |
Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0097 | 0.0097 | 0.0101 |
Echinococcus granulosus | Immunoglobulin | 0.0076 | 0.0051 | 0.0054 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.4605 | 1 | 1 |
Trypanosoma brucei | thymidine kinase | 0.0252 | 0.0437 | 0.0081 |
Brugia malayi | Dihydrofolate reductase | 0.0464 | 0.0902 | 0.0952 |
Trypanosoma brucei | thymidylate kinase, putative | 0.0224 | 0.0375 | 0.0017 |
Trichomonas vaginalis | thymidine kinase, putative | 0.0252 | 0.0437 | 0.0153 |
Trypanosoma cruzi | deoxyuridine triphosphatase, putative | 0.0367 | 0.069 | 0.0618 |
Echinococcus granulosus | nephrin | 0.0076 | 0.0051 | 0.0054 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.4359 | 0.9458 | 1 |
Trypanosoma brucei | thymidylate kinase, putative | 0.0224 | 0.0375 | 0.0017 |
Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0097 | 0.0097 | 0.0103 |
Brugia malayi | thymidylate kinase | 0.0224 | 0.0375 | 0.0394 |
Echinococcus granulosus | nephrin | 0.0076 | 0.0051 | 0.0054 |
Mycobacterium tuberculosis | Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) | 0.0464 | 0.0902 | 0.0581 |
Trichomonas vaginalis | thymidine kinase, putative | 0.0252 | 0.0437 | 0.0153 |
Echinococcus multilocularis | thymidylate synthase | 0.4359 | 0.9458 | 1 |
Loa Loa (eye worm) | thymidylate synthase | 0.4359 | 0.9458 | 1 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.4359 | 0.9458 | 1 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.4605 | 1 | 1 |
Onchocerca volvulus | 0.4359 | 0.9458 | 1 | |
Schistosoma mansoni | hypothetical protein | 0.0216 | 0.0359 | 0.0379 |
Echinococcus granulosus | irregular chiasm roughest protein | 0.0076 | 0.0051 | 0.0054 |
Schistosoma mansoni | hypothetical protein | 0.0224 | 0.0375 | 0.0396 |
Loa Loa (eye worm) | thymidylate kinase | 0.0224 | 0.0375 | 0.0396 |
Trypanosoma brucei | deoxyuridine triphosphatase, putative | 0.0367 | 0.069 | 0.0343 |
Brugia malayi | thymidylate synthase | 0.4359 | 0.9458 | 1 |
Trypanosoma cruzi | thymidine kinase, putative | 0.0252 | 0.0437 | 0.0363 |
Treponema pallidum | thymidylate kinase (tmk) | 0.0224 | 0.0375 | 0.5 |
Brugia malayi | dihydrofolate reductase family protein | 0.0464 | 0.0902 | 0.0952 |
Brugia malayi | C2-HC type zinc finger protein C.e-MyT1 | 0.011 | 0.0126 | 0.0131 |
Leishmania major | deoxyuridine triphosphatase, putative,dUTP diphosphatase | 0.0367 | 0.069 | 0.0618 |
Echinococcus granulosus | dihydrofolate reductase | 0.0464 | 0.0902 | 0.0954 |
Trypanosoma cruzi | thymidylate kinase, putative | 0.0224 | 0.0375 | 0.0301 |
Giardia lamblia | Thymidine kinase | 0.0252 | 0.0437 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.011 | 0.0126 | 0.0133 |
Trypanosoma cruzi | thymidylate kinase, putative | 0.0224 | 0.0375 | 0.0301 |
Schistosoma mansoni | hypothetical protein | 0.0076 | 0.0051 | 0.0054 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.0464 | 0.0902 | 0.0954 |
Schistosoma mansoni | hypothetical protein | 0.0076 | 0.0051 | 0.0054 |
Brugia malayi | hypothetical protein | 0.2074 | 0.4439 | 0.4692 |
Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0097 | 0.0097 | 0.0101 |
Echinococcus granulosus | suppression of tumorigenicity 18 protein | 0.011 | 0.0126 | 0.0133 |
Leishmania major | thymidine kinase, putative | 0.0252 | 0.0437 | 0.0363 |
Schistosoma mansoni | dihydrofolate reductase | 0.0464 | 0.0902 | 0.0954 |
Echinococcus multilocularis | conserved hypothetical protein | 0.0076 | 0.0051 | 0.0054 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase, putative | 0.2074 | 0.4439 | 0.4396 |
Mycobacterium ulcerans | thymidylate synthase | 0.4359 | 0.9458 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.0002 | 0.0002 |
Echinococcus granulosus | thymidylate synthase | 0.4359 | 0.9458 | 1 |
Chlamydia trachomatis | dihydrofolate reductase | 0.0464 | 0.0902 | 1 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.4359 | 0.9458 | 1 |
Mycobacterium leprae | DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) | 0.0464 | 0.0902 | 0.0581 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.4605 | 1 | 1 |
Leishmania major | thymidylate kinase-like protein | 0.0224 | 0.0375 | 0.0301 |
Echinococcus multilocularis | suppression of tumorigenicity 18 protein | 0.011 | 0.0126 | 0.0133 |
Schistosoma mansoni | thymidylate kinase | 0.0224 | 0.0375 | 0.0396 |
Entamoeba histolytica | thymidine kinase, putative | 0.0252 | 0.0437 | 1 |
Echinococcus multilocularis | nephrin | 0.0076 | 0.0051 | 0.0054 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.4605 | 1 | 1 |
Echinococcus granulosus | thymidylate kinase | 0.0224 | 0.0375 | 0.0396 |
Trypanosoma cruzi | thymidine kinase, putative | 0.0252 | 0.0437 | 0.0363 |
Trichomonas vaginalis | thymidine kinase, putative | 0.0252 | 0.0437 | 0.0153 |
Schistosoma mansoni | thymidylate kinase | 0.0224 | 0.0375 | 0.0396 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.4605 | 1 | 1 |
Wolbachia endosymbiont of Brugia malayi | thymidylate kinase | 0.0224 | 0.0375 | 0.5 |
Echinococcus multilocularis | thymidylate kinase | 0.0224 | 0.0375 | 0.0396 |
Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0097 | 0.0097 | 0.0103 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC (ADMET) | = 0.28 uM.hr.Kg/mg | Normalized AUC in Sprague-Dawley rat at 3.0 mg/kg, po | ChEMBL. | 18243692 |
CL (ADMET) | = 36 ml/min.kg | Plasma clearance in Sprague-Dawley rat at 1.0 mg/kg, iv or 3.0 mg/kg, po | ChEMBL. | 18243692 |
F (ADMET) | = 31 % | Bioavailability in Sprague-Dawley rat at 3.0 mg/kg, po | ChEMBL. | 18243692 |
IC50 (binding) | = 185 nM | Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay | ChEMBL. | 18243692 |
IC50 (binding) | = 185 nM | Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay | ChEMBL. | 18243692 |
Inhibition (binding) | = 32 % | Displacement of MK499 from human ERG channel at 10 uM | ChEMBL. | 18243692 |
Inhibition (binding) | = 32 % | Displacement of MK499 from human ERG channel at 10 uM | ChEMBL. | 18243692 |
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.