Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | stearoyl-CoA desaturase (delta-9-desaturase) | Starlite/ChEMBL | References |
Homo sapiens | stearoyl-CoA desaturase 5 | Starlite/ChEMBL | References |
Rattus norvegicus | Acyl-CoA 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 |
---|---|---|---|---|
Onchocerca volvulus | 0.0309 | 1 | 0.5 | |
Plasmodium falciparum | stearoyl-CoA desaturase | 0.0273 | 0 | 0.5 |
Brugia malayi | acyl-CoA desaturase | 0.0273 | 0 | 0.5 |
Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.0273 | 0 | 0.5 |
Onchocerca volvulus | 0.0309 | 1 | 0.5 | |
Leishmania major | fatty-acid desaturase, putative | 0.0309 | 1 | 0.5 |
Loa Loa (eye worm) | acyl-CoA desaturase | 0.0273 | 0 | 0.5 |
Trypanosoma brucei | fatty acid desaturase, putative | 0.0309 | 1 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0309 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC (ADMET) | = 1 uM.hr | AUC (0 to 6 hrs) in C57BL/6 mouse at 10 mg/kg, po | ChEMBL. | 22101133 |
Drug uptake (ADMET) | = 0.23 uM | Drug uptake in mouse liver at 10 mg/kg, po after 6 hrs | ChEMBL. | 22101133 |
Drug uptake (ADMET) | = 7.8 uM | Drug uptake in mouse liver at 60 mg/kg, po measured after 3 hrs | ChEMBL. | 22101133 |
F (ADMET) | = 10 % | Oral bioavailability in C57BL/6 mouse at 10 mg/kg | ChEMBL. | 22101133 |
IC50 (functional) | = 10 nM | Inhibition of SCD1 in po dosed mouse liver assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid measured after 3 hrs | ChEMBL. | 22101133 |
IC50 (binding) | = 13 nM | Inhibition of rat liver microsome SCD1 | ChEMBL. | 22101133 |
IC50 (binding) | = 32 nM | Inhibition of human SCD5 | ChEMBL. | 22101133 |
IC50 (binding) | = 41 nM | Inhibition of human SCD1 | ChEMBL. | 22101133 |
IC50 (binding) | = 213 nM | Inhibition of SCD1 in rat hepatocytes expressing OATP | ChEMBL. | 22101133 |
IC50 (binding) | = 7740 nM | Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay | ChEMBL. | 22101133 |
IC50 (binding) | > 20 uM | Inhibition of delta-5 desaturase expressed in HepG2 cells | ChEMBL. | 22101133 |
IC50 (binding) | > 20 uM | Inhibition of delta-6 desaturase expressed in HepG2 cells | ChEMBL. | 22101133 |
Inhibition (functional) | = 85 % | Inhibition of SCD1 in mouse liver assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid at 60 mg/kg, po measured after 3 hrs | ChEMBL. | 22101133 |
Ratio IC50 (binding) | = 4 | Ratio of compound IC50 to MK-8245 IC50 for rat liver microsome SCD1 | ChEMBL. | 22101133 |
Ratio IC50 (binding) | = 4 | Ratio of compound IC50 to MK-8245 IC50 for SCD1 in OATP-deficient human HepG2 cells | ChEMBL. | 22101133 |
Stability (ADMET) | = 75 % | Stability in mouse hepatocytes assessed as compound remaining after 2 hrs | ChEMBL. | 22101133 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Mus musculus | ChEMBL23 | 22101133 |
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.