Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | glucokinase (hexokinase 4) | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | Hexokinase family protein | glucokinase (hexokinase 4) | 465 aa | 470 aa | 30.0 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | Tolloid protein 1 | 0.0169 | 0.135 | 0.1931 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0341 | 0.6992 | 0.5 |
Loa Loa (eye worm) | low-density lipoprotein receptor repeat class B containing protein | 0.0198 | 0.2294 | 0.2294 |
Brugia malayi | SEA domain containing protein | 0.0383 | 0.8398 | 0.8398 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0227 | 0.3255 | 0.3877 |
Leishmania major | hypothetical protein, conserved | 0.0341 | 0.6992 | 0.5 |
Brugia malayi | Protein kinase domain containing protein | 0.0341 | 0.6992 | 0.6992 |
Echinococcus granulosus | Tolloid protein 1 | 0.0169 | 0.135 | 0.1931 |
Loa Loa (eye worm) | hypothetical protein | 0.0341 | 0.6992 | 0.6992 |
Plasmodium vivax | cysteine repeat modular protein 1, putative | 0.0341 | 0.6992 | 0.5 |
Onchocerca volvulus | 0.0383 | 0.8398 | 0.7921 | |
Echinococcus granulosus | tissue type plasminogen activator | 0.0341 | 0.6992 | 1 |
Toxoplasma gondii | kringle domain-containing protein | 0.0341 | 0.6992 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0169 | 0.135 | 0.135 |
Loa Loa (eye worm) | bone morphogenetic protein 1b | 0.0169 | 0.135 | 0.135 |
Loa Loa (eye worm) | DOMON domain-containing protein | 0.0383 | 0.8398 | 0.8398 |
Schistosoma mansoni | hypothetical protein | 0.0341 | 0.6992 | 0.8326 |
Onchocerca volvulus | 0.0341 | 0.6992 | 0.6097 | |
Echinococcus multilocularis | tissue type plasminogen activator | 0.0341 | 0.6992 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0239 | 0.3644 | 0.3644 |
Onchocerca volvulus | 0.0383 | 0.8398 | 0.7921 | |
Brugia malayi | Low-density lipoprotein receptor repeat class B containing protein | 0.0198 | 0.2294 | 0.2294 |
Loa Loa (eye worm) | hypothetical protein | 0.0198 | 0.2294 | 0.2294 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0157 | 0.0961 | 0.1145 |
Schistosoma mansoni | hypothetical protein | 0.0383 | 0.8398 | 1 |
Plasmodium falciparum | cysteine repeat modular protein 1 | 0.0341 | 0.6992 | 0.5 |
Onchocerca volvulus | 0.0383 | 0.8398 | 0.7921 | |
Loa Loa (eye worm) | hypothetical protein | 0.0432 | 1 | 1 |
Onchocerca volvulus | 0.0383 | 0.8398 | 0.7921 | |
Brugia malayi | Kringle domain containing protein | 0.0341 | 0.6992 | 0.6992 |
Loa Loa (eye worm) | hypothetical protein | 0.0383 | 0.8398 | 0.8398 |
Loa Loa (eye worm) | TK/ROR protein kinase | 0.0341 | 0.6992 | 0.6992 |
Schistosoma mansoni | subfamily M12A unassigned peptidase (M12 family) | 0.0169 | 0.135 | 0.1607 |
Onchocerca volvulus | 0.0432 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (ADMET) | Induction of CYP3A4 in human liver microsomes up to 25 to 50 uM | ChEMBL. | 24588963 | |
Activity (functional) | = 32.3 % | Antidiabetic activity in glucose-treated C57BL/J6 db/db mouse assessed as reduction of glucose AUC at 50 mg/kg, po preincubated for 30 mins followed by glucose challenge measured after 30 to 180 mins by oral glucose tolerance test relative to control | ChEMBL. | 24588963 |
EC50 (binding) | = 0.315 uM | Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry | ChEMBL. | 24588963 |
IC50 (ADMET) | = 5.2 uM | Inhibition of CYP2C9 in human liver microsomes | ChEMBL. | 24588963 |
Inhibition (ADMET) | Time dependent inhibition of CYP2B6 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Time dependent inhibition of CYP1A2 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Inhibition of CYP1A2 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Inhibition of CYP2B6 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Inhibition of CYP2D6 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Inhibition of CYP2C19 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Inhibition of CYP2C8 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Time dependent inhibition of CYP2C19 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Time dependent inhibition of CYP2D6 in human liver microsomes | ChEMBL. | 24588963 | |
Inhibition (ADMET) | Time dependent inhibition of CYP2C8 in human liver microsomes | ChEMBL. | 24588963 | |
S50 (binding) | = 2.33 mM | Activity of recombinant human pancreatic glucokinase assessed as glucose half-maximal saturation concentration | ChEMBL. | 24588963 |
Stabilty (ADMET) | > 60 % | Metabolic stability in human liver microsomes assessed as compound remaining after 1 hr relative to control | ChEMBL. | 24588963 |
Vmax (binding) | = 150 % | Activity of recombinant human pancreatic glucokinase assessed as glucose half-maximal activity | ChEMBL. | 24588963 |
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.