Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Rattus norvegicus | Palmitoyl-CoA oxidase | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | RING-box protein 2 homolog | Palmitoyl-CoA oxidase | 661 aa | 659 aa | 42.5 % |
Dictyostelium discoideum | acyl-CoA oxidase | Palmitoyl-CoA oxidase | 661 aa | 625 aa | 28.5 % |
Dictyostelium discoideum | acyl-CoA oxidase | Palmitoyl-CoA oxidase | 661 aa | 585 aa | 29.4 % |
Drosophila melanogaster | CG9527 gene product from transcript CG9527-RD | Palmitoyl-CoA oxidase | 661 aa | 662 aa | 32.6 % |
Onchocerca volvulus | Putative cyclin-dependent kinase 9 | Palmitoyl-CoA oxidase | 661 aa | 677 aa | 26.3 % |
Dictyostelium discoideum | hypothetical protein | Palmitoyl-CoA oxidase | 661 aa | 627 aa | 29.4 % |
Drosophila melanogaster | CG4586 gene product from transcript CG4586-RA | Palmitoyl-CoA oxidase | 661 aa | 682 aa | 40.6 % |
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Onchocerca volvulus | 0.0048 | 0.1585 | 0.3431 | |
Onchocerca volvulus | Matrilysin homolog | 0.0074 | 0.4621 | 1 |
Brugia malayi | Hemopexin family protein | 0.0048 | 0.1585 | 0.2947 |
Loa Loa (eye worm) | matrixin family protein | 0.0074 | 0.4621 | 0.859 |
Mycobacterium ulcerans | hydrolase | 0.0041 | 0.0827 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.1478 | 0.2747 |
Plasmodium vivax | transporter, putative | 0.0079 | 0.5187 | 0.5 |
Brugia malayi | Matrixin family protein | 0.0081 | 0.5379 | 1 |
Brugia malayi | Matrix metalloprotease, N-terminal domain containing protein | 0.0041 | 0.0827 | 0.1537 |
Plasmodium vivax | serine-repeat antigen 4 (SERA) | 0.0079 | 0.5187 | 0.5 |
Schistosoma mansoni | matrix metallopeptidase-9 (M10 family) | 0.008 | 0.5217 | 1 |
Echinococcus multilocularis | matrix metallopeptidase 7 (M10 family) | 0.0122 | 1 | 0.5 |
Brugia malayi | Acyl-CoA oxidase family protein | 0.0053 | 0.2227 | 0.4139 |
Loa Loa (eye worm) | matrixin family protein | 0.0081 | 0.5379 | 1 |
Mycobacterium tuberculosis | Probable peptidoglycan hydrolase | 0.0041 | 0.0827 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0827 | 0.1537 |
Toxoplasma gondii | hypothetical protein | 0.0079 | 0.5187 | 1 |
Plasmodium vivax | hypothetical protein, conserved | 0.0079 | 0.5187 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0048 | 0.1585 | 0.3039 |
Onchocerca volvulus | Matrix metalloproteinase homolog | 0.0074 | 0.4621 | 1 |
Mycobacterium leprae | PROBABLE HYDROLASE | 0.0041 | 0.0827 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
% remaining (ADMET) | = 58 % | Metabolic stability (% remaining at 30 mins) in human S9. | ChEMBL. | 14698201 |
Delta CPP (functional) | = -4.3 mmHg | Electrophysiological effect on isolated guinea pig heart as change in coronary perfusion pressure at 3 uM | ChEMBL. | 14698201 |
Delta H-V (functional) | = 0 ms | Electrophysiological effect on isolated guinea pig heart as change in H-V interval at 3 uM | ChEMBL. | 14698201 |
Delta S-H (functional) | = 3 ms | Electrophysiological effect on isolated guinea pig heart as change in S-H interval at 3 uM | ChEMBL. | 14698201 |
IC50 (binding) | = 180 nM | Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. | ChEMBL. | 14698201 |
IC50 (binding) | = 180 nM | Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. | ChEMBL. | 14698201 |
IC50 (ADMET) | = 6 uM | Inhibition of cytochrome P450 1A2 of isolated guinea pig heart | ChEMBL. | 14698201 |
IC50 (ADMET) | = 6 uM | Inhibition of cytochrome P450 1A2 of isolated guinea pig heart | ChEMBL. | 14698201 |
IC50 (ADMET) | = 24 uM | Inhibition of cytochrome P450 2C9 of isolated guinea pig heart | ChEMBL. | 14698201 |
IC50 (ADMET) | = 24 uM | Inhibition of cytochrome P450 2C9 of isolated guinea pig heart | ChEMBL. | 14698201 |
IC50 (ADMET) | = 37 uM | Inhibition of cytochrome P450 3A4 of isolated guinea pig heart | ChEMBL. | 14698201 |
IC50 (ADMET) | = 37 uM | Inhibition of cytochrome P450 3A4 of isolated guinea pig heart | ChEMBL. | 14698201 |
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.