Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | PXA domain containing protein | 0.0039 | 0.0644 | 0.0644 |
Loa Loa (eye worm) | AGC/GRK/GRK protein kinase | 0.0393 | 1 | 1 |
Echinococcus multilocularis | beta adrenergic receptor kinase | 0.004 | 0.0669 | 0.003 |
Echinococcus multilocularis | G protein coupled receptor kinase 6 | 0.0354 | 0.8963 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Loa Loa (eye worm) | PXA domain-containing protein | 0.0039 | 0.0644 | 0.0644 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0393 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Loa Loa (eye worm) | RGS-3 protein | 0.0039 | 0.0644 | 0.0644 |
Brugia malayi | Regulator of G protein signaling domain containing protein | 0.0039 | 0.0644 | 0.0644 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.0015 | 0 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Loa Loa (eye worm) | G protein signaling regulator EGL-10 | 0.0039 | 0.0644 | 0.0644 |
Schistosoma mansoni | serine/threonine protein kinase | 0.004 | 0.0669 | 0.0027 |
Brugia malayi | Probable G protein-coupled receptor kinase F19C6.1, putative | 0.0354 | 0.8963 | 0.8963 |
Echinococcus granulosus | [G-protein-coupledreceptor] kinase | 0.0354 | 0.8963 | 1 |
Schistosoma mansoni | serine/threonine protein kinase | 0.004 | 0.0669 | 0.0027 |
Loa Loa (eye worm) | G protein-coupled receptor kinase 1 | 0.0354 | 0.8963 | 0.8963 |
Leishmania major | cytochrome p450-like protein | 0.0015 | 0 | 0.5 |
Brugia malayi | PXA domain containing protein | 0.0039 | 0.0644 | 0.0644 |
Trichomonas vaginalis | regulator of G protein signaling 5, rgs5, putative | 0.0039 | 0.0644 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Loa Loa (eye worm) | AGC/GRK/BARK protein kinase | 0.004 | 0.0669 | 0.0669 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0015 | 0 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0015 | 0 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Brugia malayi | A-kinase anchor protein 10, precursor | 0.0039 | 0.0644 | 0.0644 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0015 | 0 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Loa Loa (eye worm) | AGC/GRK/GRK protein kinase | 0.0354 | 0.8963 | 0.8963 |
Brugia malayi | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Brugia malayi | regulator of G-protein signaling rgs-7 | 0.0039 | 0.0644 | 0.0644 |
Brugia malayi | regulator of G-protein signaling egl-10 | 0.0039 | 0.0644 | 0.0644 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0039 | 0.0644 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0644 | 0.0644 |
Brugia malayi | Regulator of G protein signaling domain containing protein | 0.0039 | 0.0644 | 0.0644 |
Echinococcus granulosus | beta-adrenergic receptor kinase | 0.004 | 0.0669 | 0.003 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 0.0053 uM | DNDI: Chagas in Vitro | ChEMBL. | No reference |
IC50 (functional) | = 0.0062 uM | DNDI: Chagas in Vitro | ChEMBL. | No reference |
IC50 (ADMET) | < 1 uM | DNDI: Human CYP3A4 inhibition determined using 6b-hydroxylation of testosterone | ChEMBL. | No reference |
IC90 (functional) | = 0.639 uM | DNDI: Chagas in Vitro | ChEMBL. | No reference |
IC90 (functional) | = 0.769 uM | DNDI: Chagas in Vitro | ChEMBL. | No reference |
Inhibition (ADMET) | = 75.9 % | DNDI: Human CYP3A4 inhibition at 1 uM determined using 6b-hydroxylation of testosterone | ChEMBL. | No reference |
Inhibition (ADMET) | = 91.9 % | DNDI: Human CYP3A4 inhibition at 10 uM determined using 6b-hydroxylation of testosterone | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Trypanosoma cruzi | ChEMBL23 |
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.