Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | renin | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Plasmodium falciparum | plasmepsin X | renin | 406 aa | 352 aa | 26.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | NADPH flavin oxidoreductase | 0.0102 | 0.1964 | 0.0151 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0101 | 0.1841 | 0.5 |
Trypanosoma brucei | NADPH-cytochrome p450 reductase, putative | 0.0203 | 1 | 1 |
Schistosoma mansoni | cathepsin D (A01 family) | 0.0174 | 0.7665 | 0.7138 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0078 | 0 | 0.5 |
Plasmodium vivax | flavodoxin domain containing protein | 0.018 | 0.8159 | 0.8159 |
Echinococcus multilocularis | NADPH cytochrome P450 reductase | 0.0203 | 1 | 1 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0203 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0203 | 1 | 1 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0125 | 0.3805 | 0.3805 |
Mycobacterium ulcerans | formate dehydrogenase H FdhF | 0.0203 | 1 | 0.5 |
Echinococcus multilocularis | NADPH dependent diflavin oxidoreductase 1 | 0.0203 | 1 | 1 |
Echinococcus granulosus | NADPH dependent diflavin oxidoreductase 1 | 0.0203 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0078 | 0 | 0.5 |
Chlamydia trachomatis | sulfite reductase | 0.0125 | 0.3805 | 0.5 |
Plasmodium falciparum | nitric oxide synthase, putative | 0.0203 | 1 | 1 |
Leishmania major | cytochrome P450 reductase, putative | 0.018 | 0.8159 | 0.8159 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0078 | 0 | 0.5 |
Trichomonas vaginalis | sulfite reductase, putative | 0.0203 | 1 | 1 |
Loa Loa (eye worm) | FAD binding domain-containing protein | 0.0203 | 1 | 1 |
Treponema pallidum | flavodoxin | 0.0078 | 0 | 0.5 |
Trypanosoma brucei | NADPH--cytochrome P450 reductase, putative | 0.0203 | 1 | 1 |
Leishmania major | p450 reductase, putative | 0.0203 | 1 | 1 |
Trichomonas vaginalis | NADPH fad oxidoreductase, putative | 0.018 | 0.8159 | 0.8159 |
Trypanosoma cruzi | cytochrome P450 reductase, putative | 0.0203 | 1 | 1 |
Trypanosoma cruzi | NADPH-dependent FMN/FAD containing oxidoreductase, putative | 0.0203 | 1 | 1 |
Schistosoma mansoni | 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase | 0.0125 | 0.3805 | 0.2407 |
Leishmania major | NADPH-cytochrome p450 reductase-like protein | 0.0203 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0203 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0078 | 0 | 0.5 |
Toxoplasma gondii | flavodoxin domain-containing protein | 0.0101 | 0.1841 | 0.5 |
Schistosoma mansoni | cathepsin D (A01 family) | 0.0174 | 0.7665 | 0.7138 |
Giardia lamblia | Hypothetical protein | 0.018 | 0.8159 | 0.5 |
Giardia lamblia | Nitric oxide synthase, inducible | 0.018 | 0.8159 | 0.5 |
Schistosoma mansoni | cytochrome P450 reductase | 0.0203 | 1 | 1 |
Trypanosoma cruzi | p450 reductase, putative | 0.0203 | 1 | 1 |
Plasmodium vivax | NADPH-cytochrome p450 reductase, putative | 0.0203 | 1 | 1 |
Trypanosoma brucei | NADPH-dependent diflavin oxidoreductase 1 | 0.0203 | 1 | 1 |
Brugia malayi | FAD binding domain containing protein | 0.0203 | 1 | 1 |
Entamoeba histolytica | type A flavoprotein, putative | 0.0078 | 0 | 0.5 |
Echinococcus granulosus | NADPH cytochrome P450 reductase | 0.0203 | 1 | 1 |
Brugia malayi | FAD binding domain containing protein | 0.0125 | 0.3805 | 0.3805 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Average AUC (ADMET) | = 13.9 ug min-1 ml-1 | Average area under curve value of the compound dosed at 0.3mg/kg,iv in ferrets. | ChEMBL. | 1588555 |
Average AUC (ADMET) | = 167 ug min-1 ml-1 | Average area under curve value of the compound dosed at 10mg/kg,id in ferrets. | ChEMBL. | 1588555 |
Average peak Concn. (ADMET) | = 1.01 ug ml-1 | Average peak plasma drug concentration of the compound after iv dose of 0.3 mg/kg in ferrets. | ChEMBL. | 1588555 |
Average peak Concn. (ADMET) | = 1.19 ug ml-1 | Average peak plasma drug concentration of the compound after id dose of 10 mg/kg in ferrets(Plasma samples collected from arterial blood). | ChEMBL. | 1588555 |
Average peak Concn. (ADMET) | = 1.54 ug ml-1 | Average peak plasma drug concentration of the compound after id dose of 10 mg/kg in ferrets(Plasma samples collected from portal blood). | ChEMBL. | 1588555 |
F (ADMET) | = 36 % | Bioavailability in ferret | ChEMBL. | 1588555 |
IC50 (binding) | = 2.7 nM | In vitro activity against human renin (pH 6.0) | ChEMBL. | 1588555 |
IC50 (binding) | = 2.7 nM | In vitro activity against human renin (pH 6.0) | ChEMBL. | 1588555 |
IC50 (binding) | = 8.3 nM | In vitro potency against human plasma renin at a pH of 7.4 | ChEMBL. | 1588555 |
IC50 (binding) | = 8.3 nM | In vitro potency against human plasma renin at a pH of 7.4 | ChEMBL. | 1588555 |
logD (ADMET) | = 3.6 | Partition coefficient (logD6.5) | ChEMBL. | 1588555 |
logD (ADMET) | > 4 | Partition coefficient (logD7.4) | ChEMBL. | 1588555 |
S | = 0.385 mg ml-1 | Aqueous solubility of the compound at a pH of 7.4. | ChEMBL. | 1588555 |
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.