Detailed information for compound 61543
Basic information
Technical information
- TDR Targets ID: 61543
- Name: (5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]etho xy]phenyl]methylidene]-1,3-thiazolidine-2,4-d ione
- MW: 355.411 | Formula: C18H17N3O3S
-
H donors: 1
H acceptors: 3
LogP: 3.25
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C1NC(=O)/C(=C/c2ccc(cc2)OCCN(c2ccccn2)C)/S1
- InChi: 1S/C18H17N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,12H,10-11H2,1H3,(H,20,22,23)/b15-12-
- InChiKey: HCDYSWMAMRPMST-QINSGFPZSA-N
Network
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Synonyms
- (5Z)-5-[[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]methylene]thiazolidine-2,4-dione
- (5Z)-5-[4-[2-[methyl(2-pyridyl)amino]ethoxy]benzylidene]thiazolidine-2,4-quinone
- (5Z)-5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
- (5Z)-5-[[4-[2-(methyl-(2-pyridyl)amino)ethoxy]phenyl]methylene]thiazolidine-2,4-dione
- (5Z)-5-[4-[2-(methyl-(2-pyridyl)amino)ethoxy]benzylidene]thiazolidine-2,4-quinone
- (5Z)-5-[[4-[2-(methyl-pyridin-2-yl-amino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Mus musculus | peroxisome proliferator activated receptor gamma | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Brugia malayi | photoreceptor-specific nuclear receptor | peroxisome proliferator activated receptor gamma | 475 aa | 395 aa | 26.3 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.0551 | 1 | 1 |
| Plasmodium vivax | vivapain-3 | 0.0286 | 0.3354 | 0.2848 |
| Brugia malayi | Cathepsin L-like precursor | 0.0551 | 1 | 1 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0257 | 0.2628 | 0.2628 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.037 | 0.5469 | 0.5469 |
| Loa Loa (eye worm) | fibroinase | 0.0551 | 1 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Onchocerca volvulus | Cathepsin L homolog | 0.0551 | 1 | 1 |
| Brugia malayi | Cathepsin L-like cysteine proteinase | 0.037 | 0.5469 | 0.5124 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase (N-terminal), putative | 0.0286 | 0.3354 | 0.3354 |
| Echinococcus multilocularis | cysteine protease | 0.0551 | 1 | 1 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.0551 | 1 | 1 |
| Plasmodium vivax | unspecified product | 0.0286 | 0.3354 | 0.2848 |
| Echinococcus multilocularis | cathepsin L cysteine protease | 0.0551 | 1 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0181 | 0.0707 | 0.0707 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0551 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.037 | 0.5469 | 0.5469 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0286 | 0.3354 | 0.3354 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine proteinase, putative | 0.0286 | 0.3354 | 0.3354 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.0551 | 1 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase C (CPC), putative | 0.0257 | 0.2628 | 0.2628 |
| Loa Loa (eye worm) | cysteine protease | 0.0551 | 1 | 1 |
| Echinococcus multilocularis | cysteine protease | 0.0551 | 1 | 1 |
| Toxoplasma gondii | cathepsin CPL | 0.0551 | 1 | 1 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.0551 | 1 | 1 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0286 | 0.3354 | 0.3354 |
| Echinococcus granulosus | cathepsin L | 0.0286 | 0.3354 | 0.0985 |
| Brugia malayi | Cathepsin L-like precursor | 0.037 | 0.5469 | 0.5124 |
| Schistosoma mansoni | cathepsin s | 0.0181 | 0.0707 | 0.0707 |
| Plasmodium falciparum | cysteine proteinase falcipain 2a | 0.0551 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0181 | 0.0707 | 0.0707 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.037 | 0.5469 | 0.5469 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0551 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0286 | 0.3354 | 0.3354 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.0551 | 1 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.037 | 0.5469 | 0.5124 |
| Loa Loa (eye worm) | ctsf protein | 0.0551 | 1 | 1 |
| Plasmodium vivax | vivapain-1 | 0.0286 | 0.3354 | 0.2848 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.0551 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.0551 | 1 | 1 |
| Giardia lamblia | Cathepsin B precursor | 0.0152 | 0 | 0.5 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.0551 | 1 | 1 |
| Schistosoma mansoni | SmCB2 peptidase (C01 family) | 0.0257 | 0.2628 | 0.2628 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0286 | 0.3354 | 0.3354 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0181 | 0.0707 | 0.0707 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.037 | 0.5469 | 0.5469 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Onchocerca volvulus | Cathepsin L homolog | 0.0551 | 1 | 1 |
| Plasmodium falciparum | cysteine proteinase falcipain 2b | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0181 | 0.0707 | 0.0707 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Echinococcus multilocularis | cathepsin L | 0.0286 | 0.3354 | 0.0985 |
| Loa Loa (eye worm) | hypothetical protein | 0.037 | 0.5469 | 0.5469 |
| Echinococcus granulosus | cathepsin L cysteine protease | 0.0286 | 0.3354 | 0.0985 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0286 | 0.3354 | 0.3354 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0286 | 0.3354 | 0.3354 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0286 | 0.3354 | 0.3354 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0286 | 0.3354 | 0.2848 |
| Loa Loa (eye worm) | hypothetical protein | 0.0181 | 0.0707 | 0.0707 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine proteinase, putative | 0.0286 | 0.3354 | 0.3354 |
| Plasmodium falciparum | cysteine proteinase falcipain 3 | 0.0551 | 1 | 1 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0257 | 0.2628 | 0.2628 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0551 | 1 | 1 |
| Giardia lamblia | Cathepsin B precursor | 0.0152 | 0 | 0.5 |
| Brugia malayi | Cathepsin L-like precursor | 0.0551 | 1 | 1 |
| Giardia lamblia | Cathepsin B precursor | 0.0152 | 0 | 0.5 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Echinococcus granulosus | cathepsin l1 | 0.037 | 0.5469 | 0.3853 |
| Brugia malayi | cathepsin L-like precursor | 0.037 | 0.5469 | 0.5124 |
| Loa Loa (eye worm) | hypothetical protein | 0.0181 | 0.0707 | 0.0707 |
| Entamoeba histolytica | cysteine protease, putative | 0.0551 | 1 | 1 |
| Plasmodium vivax | vivapain-2 | 0.0551 | 1 | 1 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Echinococcus granulosus | cysteine protease | 0.0286 | 0.3354 | 0.0985 |
| Brugia malayi | Cathepsin L-like precursor | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.037 | 0.5469 | 0.5469 |
| Schistosoma mansoni | cathepsin B-like peptidase (C01 family) | 0.0257 | 0.2628 | 0.2628 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0551 | 1 | 1 |
| Trypanosoma cruzi | cysteine protease, putative | 0.0286 | 0.3354 | 0.3354 |
| Onchocerca volvulus | Cathepsin F homolog | 0.0551 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Plasmodium vivax | vivapain-2 | 0.0551 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.037 | 0.5469 | 0.5469 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.0551 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Schistosoma mansoni | SmCL2-like peptidase (C01 family) | 0.0286 | 0.3354 | 0.3354 |
| Leishmania major | cathepsin L-like protease | 0.0551 | 1 | 1 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.037 | 0.5469 | 0.3182 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0551 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.0551 | 1 | 1 |
| Echinococcus multilocularis | cathepsin l cysteine peptidase | 0.0551 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0257 | 0.2628 | 0.2628 |
| Leishmania major | cysteine peptidase A (CPA) | 0.0551 | 1 | 1 |
| Brugia malayi | cathepsin B-like cysteine proteinase | 0.0257 | 0.2628 | 0.2067 |
| Onchocerca volvulus | 0.0551 | 1 | 1 | |
| Brugia malayi | Papain family cysteine protease containing protein | 0.0286 | 0.3354 | 0.2848 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| clogP | = 2.95 | Calculated partition coefficient (clogP) | ChEMBL. | 9572887 |
| Displacement (binding) | = 85 % | Displacement of [3H]-BRL 49653 from glutathione S-transferase-Peroxisome proliferator activated receptor gamma ligand binding domain in bacterial extracts | ChEMBL. | 8576907 |
| Displacement (binding) | = 85 % | Displacement of [3H]-BRL 49653 from glutathione S-transferase-Peroxisome proliferator activated receptor gamma ligand binding domain in bacterial extracts | ChEMBL. | 8576907 |
| EC50 (functional) | uM | In vitro transcriptional activation of peroxisome proliferator activated delta-receptor (PPAR) expressed in CV-1 cells; Inactive | ChEMBL. | 8576907 |
| EC50 (functional) | uM | In vitro transcriptional activation of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells; Inactive | ChEMBL. | 8576907 |
| EC50 (functional) | 0 uM | In vitro transcriptional activation of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells; Inactive | ChEMBL. | 8576907 |
| EC50 (functional) | 0 uM | In vitro transcriptional activation of peroxisome proliferator activated delta-receptor (PPAR) expressed in CV-1 cells; Inactive | ChEMBL. | 8576907 |
| EC50 (functional) | = 0.19 uM | In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells | ChEMBL. | 8576907 |
| EC50 (functional) | = 0.19 uM | In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells | ChEMBL. | 8576907 |
| MED (functional) | = 300 uM kg-1 | Minimum effective dose required for significant reduction in blood glucose in ob/ob mice | ChEMBL. | 8576907 |
| MED (functional) | = 300 uM kg-1 | Minimum effective dose required for significant reduction in blood glucose in ob/ob mice | ChEMBL. | 8576907 |
| Reduction (functional) | 0 % | Percent reduction in area under glucose tolerance curve (AUC) was determined at 30 micromol/kg dose of diet in mice; IA = No significant activity | ChEMBL. | 7966158 |
| Reduction (functional) | = 32 % | Percent reduction in triglyceride (TG) after 9 days of dosing in db/db is evaluated in rat for euglycemic and hypolipidemic activities at a dose of 10 mg/kg | ChEMBL. | 9572887 |
| Reduction (functional) | = 32 % | Percent reduction in triglyceride (TG) after 9 days of dosing in db/db is evaluated in rat for euglycemic and hypolipidemic activities at a dose of 100 mg/kg | ChEMBL. | 9572887 |
| Reduction (functional) | = 35 % | Compound was administered at a dose of 100 mg/kg/day to evaluate the percentage reduction in plasma triglyceride(TG) after 6 days of treatment in db/db mice via oral gavage. | ChEMBL. | 10411477 |
| Reduction (functional) | = 35 % | Compound was administered at a dose of 100 mg/kg/day to evaluate the percentage reduction in plasma triglyceride(TG) after 6 days of treatment in db/db mice via oral gavage. | ChEMBL. | 10411477 |
| Reduction (functional) | = 47 % | Percent reduction in area under glucose tolerance curve at 300 uM/kg dose in diet of mice. | ChEMBL. | 7966158 |
| Reduction (functional) | = 47 % | Percent reduction in area under glucose tolerance curve at 300 uM/kg dose in diet of mice. | ChEMBL. | 7966158 |
| Reduction (functional) | = 55.5 % | Compound was administered at a dose of 100 mg/kg/day to evaluate the percentage reduction in plasma glucose(PG) after 6 days of treatment in db/db mice via oral gavage. | ChEMBL. | 10411477 |
| Reduction (functional) | = 55.5 % | Compound was administered at a dose of 100 mg/kg/day to evaluate the percentage reduction in plasma glucose(PG) after 6 days of treatment in db/db mice via oral gavage. | ChEMBL. | 10411477 |
| Reduction (functional) | = 56 % | Percent reduction in blood glucose is evaluated in rat for euglycemic and hypolipidemic activities at a dose of 10 mg/kg | ChEMBL. | 9572887 |
| Reduction (functional) | = 56 % | Percent reduction in blood glucose is evaluated in rat for euglycemic and hypolipidemic activities at a dose of 100 mg/kg | ChEMBL. | 9572887 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
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.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL297312
- PubChem: 10119132
Bibliographic References
4 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.