Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | stearoyl-CoA desaturase (delta-9-desaturase) | Starlite/ChEMBL | References |
Rattus norvegicus | Acyl-CoA desaturase 1 | Starlite/ChEMBL | References |
Homo sapiens | stearoyl-CoA desaturase 5 | Starlite/ChEMBL | References |
Mus musculus | stearoyl-Coenzyme A desaturase 1 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Candida albicans | one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9 fatty acid desaturase | Acyl-CoA desaturase 1 | 358 aa | 317 aa | 27.1 % |
Candida albicans | one of two potential fatty acid desaturase genes similar to S. cerevisiae OLE1 (YGL055W) delta-9 fatty acid desaturase | Acyl-CoA desaturase 1 | 358 aa | 317 aa | 27.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | acyl-CoA desaturase | 0.0341 | 0.8517 | 1 |
Leishmania major | fatty-acid desaturase, putative | 0.0395 | 1 | 1 |
Onchocerca volvulus | 0.0395 | 1 | 1 | |
Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.0341 | 0.8517 | 0.5 |
Brugia malayi | Delta5 fatty acid desaturase | 0.0054 | 0.0644 | 0.0756 |
Echinococcus multilocularis | lysine specific histone demethylase 1A | 0.0106 | 0.2076 | 1 |
Brugia malayi | acyl-CoA desaturase | 0.0341 | 0.8517 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0106 | 0.2076 | 0.2438 |
Onchocerca volvulus | 0.0115 | 0.2323 | 0.1794 | |
Brugia malayi | Fatty acid desaturase family protein | 0.0054 | 0.0644 | 0.0756 |
Schistosoma mansoni | Lysine-specific histone demethylase 1 | 0.0106 | 0.2076 | 1 |
Mycobacterium tuberculosis | Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f | 0.0054 | 0.0644 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0341 | 0.8517 | 0.8415 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0395 | 1 | 1 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0054 | 0.0644 | 0.5 |
Mycobacterium ulcerans | electron transfer protein FdxB | 0.0054 | 0.0644 | 0.5 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3_2 | 0.0054 | 0.0644 | 0.5 |
Mycobacterium tuberculosis | Probable conserved membrane protein | 0.0054 | 0.0644 | 0.5 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0054 | 0.0644 | 0.5 |
Loa Loa (eye worm) | FAT-3 protein | 0.0054 | 0.0644 | 0.0756 |
Trypanosoma brucei | fatty acid desaturase, putative | 0.0395 | 1 | 1 |
Onchocerca volvulus | 0.0395 | 1 | 1 | |
Toxoplasma gondii | sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein | 0.0054 | 0.0644 | 0.5 |
Brugia malayi | Fatty acid desaturase family protein | 0.0054 | 0.0644 | 0.0756 |
Mycobacterium tuberculosis | Possible electron transfer protein FdxB | 0.0054 | 0.0644 | 0.5 |
Echinococcus granulosus | lysine specific histone demethylase 1A | 0.0106 | 0.2076 | 1 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0341 | 0.8517 | 0.8415 |
Mycobacterium ulcerans | transmembrane alkane 1-monooxygenase AlkB | 0.0054 | 0.0644 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0054 | 0.0644 | 0.5 |
Brugia malayi | SWIRM domain containing protein | 0.0115 | 0.2323 | 0.2727 |
Plasmodium falciparum | stearoyl-CoA desaturase | 0.0341 | 0.8517 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0054 | 0.0644 | 0.5 |
Loa Loa (eye worm) | fatty acid desaturase | 0.0054 | 0.0644 | 0.0756 |
Loa Loa (eye worm) | hypothetical protein | 0.0106 | 0.2076 | 0.2438 |
Loa Loa (eye worm) | fatty acid desaturase | 0.0054 | 0.0644 | 0.0756 |
Loa Loa (eye worm) | hypothetical protein | 0.0115 | 0.2323 | 0.2727 |
Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.0644 | 0.0756 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC (ADMET) | = 2.1 uM.hr | AUC (0 to 6 hrs) in C57BL/6 mouse at 10 mg/kg, po | ChEMBL. | 22209206 |
Drug uptake (ADMET) | = 2.7 uM | Drug level in liver of C57BL/6 mouse at 10 mg/kg, po measured 6 hrs post dosing | ChEMBL. | 22209206 |
F (ADMET) | = 24 % | Oral bioavailability in C57BL/6 mouse at 10 mg/kg | ChEMBL. | 22209206 |
IC50 (binding) | = 18 nM | Inhibition of mouse SCD-1 | ChEMBL. | 22209206 |
IC50 (binding) | = 24 nM | Inhibition of SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting | ChEMBL. | 22209206 |
IC50 (binding) | = 27 nM | Inhibition of human SCD-1 | ChEMBL. | 22209206 |
IC50 (binding) | = 198 nM | Inhibition of SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting | ChEMBL. | 22209206 |
IC50 (binding) | = 242 nM | Inhibition of human SCD-5 | ChEMBL. | 22209206 |
IC50 (binding) | = 9900 nM | Inhibition of SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting | ChEMBL. | 22209206 |
IC50 (binding) | > 80 uM | Inhibition of human delta-5 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer | ChEMBL. | 22209206 |
IC50 (binding) | > 80 uM | Inhibition of human delta-6 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer | ChEMBL. | 22209206 |
Inhibition (functional) | = 72 % | Antidiabetic activity in C57BL/6 mouse LPD model assessed as reduction in liver SCD activity at 14.8 uM liver concentration dosed at 10 mg/kg, po measured 3 hrs post dosing | ChEMBL. | 22209206 |
Ratio IC50 (binding) | = 8 | Ratio of IC50 for SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides to IC50 for SCD-1 activity in rat liver microsomes | ChEMBL. | 22209206 |
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.