Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Schistosoma mansoni | alpha-glucosidase | 0.0138 | 0.0541 | 1 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.016 | 0.0672 | 1 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Trypanosoma cruzi | polo-like protein kinase, putative | 0.0093 | 0.0276 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Giardia lamblia | Kinase, PLK | 0.0093 | 0.0276 | 0.5 |
Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0093 | 0.0276 | 1 |
Schistosoma mansoni | alpha-glucosidase | 0.0138 | 0.0541 | 1 |
Trypanosoma cruzi | polo-like protein kinase, putative | 0.0093 | 0.0276 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Wolbachia endosymbiont of Brugia malayi | recombinase A | 0.0106 | 0.0354 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Trypanosoma brucei | polo-like protein kinase | 0.0093 | 0.0276 | 0.5 |
Mycobacterium ulcerans | recombinase A | 0.0106 | 0.0354 | 0.5 |
Loa Loa (eye worm) | glycosyl hydrolase family 31 protein | 0.016 | 0.0672 | 1 |
Chlamydia trachomatis | recombinase RecA | 0.0106 | 0.0354 | 0.5 |
Brugia malayi | Glycosyl hydrolases family 31 protein | 0.016 | 0.0672 | 1 |
Treponema pallidum | recombinase A | 0.0106 | 0.0354 | 0.5 |
Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0093 | 0.0276 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0093 | 0.0276 | 1 |
Mycobacterium leprae | Conserved hypothetical protein | 0.0623 | 0.339 | 1 |
Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0093 | 0.0276 | 0.5 |
Echinococcus multilocularis | lysosomal alpha glucosidase | 0.016 | 0.0672 | 1 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0093 | 0.0276 | 0.5037 |
Echinococcus granulosus | lysosomal alpha glucosidase | 0.016 | 0.0672 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC (ADMET) | = 49.8 microg.hr/mL | AUC in ICR mouse at 10 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21292356 |
AUC (ADMET) | = 53.6 microg.hr/mL | AUC in ICR mouse at 10 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21292356 |
CL (ADMET) | = 3.11 ml/min.kg | Clearance in ICR mouse at 10 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21292356 |
Cmax (ADMET) | = 8.37 ug ml-1 | Cmax in ICR mouse at 10 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21292356 |
Cmax (ADMET) | = 8.81 ug ml-1 | Cmax in ICR mouse at 10 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21292356 |
F (ADMET) | = 92.8 % | Oral bioavailability in ICR mouse at 10 mg/kg by LC/MS/MS analysis | ChEMBL. | 21292356 |
T1/2 (ADMET) | = 3.42 hr | Half life in ICR mouse at 10 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21292356 |
T1/2 (ADMET) | = 3.82 hr | Half life in ICR mouse at 10 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21292356 |
Tmax (ADMET) | = 0.5 hr | Tmax in ICR mouse at 10 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21292356 |
Vdss (ADMET) | = 0.918 L/Kg | Volume of distribution at steady state in ICR mouse at 10 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21292356 |
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.