Detailed information for compound 21557

Basic information

Technical information
  • TDR Targets ID: 21557
  • Name: 2-[2-(4-chlorophenyl)-5-(2-furyl)-4-oxazolyl] acetic acid ethyl ester
  • MW: 331.75 | Formula: C17H14ClNO4
  • H donors: 0 H acceptors: 2 LogP: 3.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cc1nc(oc1c1ccco1)c1ccc(cc1)Cl
  • InChi: 1S/C17H14ClNO4/c1-2-21-15(20)10-13-16(14-4-3-9-22-14)23-17(19-13)11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3
  • InChiKey: HUPJQAHXMFEKJY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-chlorophenyl)-5-(2-furyl)oxazol-4-yl]acetic acid ethyl ester
  • 4-Oxazoleacetic acid, 2-(4-chlorophenyl)-5-(2-furanyl)-, ethyl ester
  • 88352-44-7
  • ethyl 2-(4-chlorophenyl)-5-(2-furyl)-4-oxzoleacetate
  • Ethyl 2-(4-chlorophenyl)-5-(2-furyl)oxazole-4-acetate
  • ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]acetate
  • ethyl 2-[2-(4-chlorophenyl)-5-(2-furyl)oxazol-4-yl]acetate
  • ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]ethanoate
  • ethyl 2-[2-(4-chlorophenyl)-5-furan-2-yl-1,3-oxazol-4-yl]acetate
  • ethyl 2-[2-(4-chlorophenyl)-5-furan-2-yl-1,3-oxazol-4-yl]ethanoate
  • TA 1801
  • TA-1801

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.199 0.5348 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0826 0.1904 0.356
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0826 0.1904 0.356
Loa Loa (eye worm) hypothetical protein 0.2427 0.6641 0.6413
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.199 0.5348 1
Loa Loa (eye worm) hypothetical protein 0.1286 0.3267 0.2811
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Schistosoma mansoni nAChR subunit 0.0397 0.0634 0.1186
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0826 0.1904 0.1768
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.199 0.5348 1
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0478 0.0876 0.1638
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0478 0.0876 0.1638
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0461 0.0826 0.0205
Brugia malayi Carboxyl transferase domain containing protein 0.0461 0.0826 0.0267
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0632 0.1331 0.2489
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Schistosoma mansoni acetylcholine receptor subunit beta 0.0397 0.0634 0.1186
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0632 0.1331 0.097
Brugia malayi Cation transporter family protein 0.0826 0.1904 0.1768
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.1847 0.4926 0.921
Onchocerca volvulus 0.0826 0.1904 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0826 0.1904 0.356
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.199 0.5348 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.199 0.5348 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0826 0.1904 0.1355
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0826 0.1904 0.356
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0826 0.1904 0.1768
Trypanosoma brucei acetyl-CoA carboxylase 0.0478 0.0876 0.1638
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.067 0.1443 0.2698
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.199 0.5348 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0703 0.1542 0.1265
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Echinococcus multilocularis nAChR subunit 0.0429 0.0731 0.1366
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1286 0.3267 0.2811
Brugia malayi Cation transporter family protein 0.0826 0.1904 0.1768
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0397 0.0634 0.1186
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0826 0.1904 0.1768
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.1847 0.4926 0.921
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0826 0.1904 0.356
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.199 0.5348 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0826 0.1904 0.1355
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0826 0.1904 0.1768
Loa Loa (eye worm) hypothetical protein 0.2823 0.7814 0.7666
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1286 0.3267 0.4531
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0397 0.0634 0.1186
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0826 0.1904 0.1768
Trypanosoma cruzi acetyl-CoA carboxylase 0.0296 0.0337 0.063
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0826 0.1904 0.1355
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0826 0.1904 0.356
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0826 0.1904 0.356
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.199 0.5348 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0826 0.1904 0.356
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0826 0.1904 0.356
Echinococcus multilocularis nAChR subunit 0.0826 0.1904 0.356
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0826 0.1904 0.1768
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.199 0.5348 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1286 0.3267 0.6108
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0429 0.0731 0.0134
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0397 0.0634 0.1186
Schistosoma mansoni acetyl-CoA carboxylase 0.0478 0.0876 0.1638
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0826 0.1904 0.1768
Onchocerca volvulus Putative nachr subunit 0.0826 0.1904 1
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0429 0.0731 0.1366
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0478 0.0876 0.1638
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0826 0.1904 0.1355
Brugia malayi Cation transporter family protein 0.0826 0.1904 0.1768
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0826 0.1904 0.1768
Echinococcus granulosus nAChR subunit 0.0826 0.1904 0.356
Plasmodium vivax tryptophan-rich antigen (Pv-fam-a) 0.1827 0.4867 0.9012
Loa Loa (eye worm) ACC-1 protein 0.0826 0.1904 0.1355
Echinococcus granulosus glycine receptor subunit beta 0.0826 0.1904 0.356
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1286 0.3267 0.2811
Onchocerca volvulus 0.0826 0.1904 1
Schistosoma mansoni acetylcholine receptor-related 0.0397 0.0634 0.1186
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.199 0.5348 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0826 0.1904 0.1768
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0632 0.1331 0.2489
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0654 0.1397 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0826 0.1904 0.1355
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0826 0.1904 0.356
Schistosoma mansoni neurotransmitter gated ion channel 0.0429 0.0731 0.1366
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0826 0.1904 0.356
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0429 0.0731 0.0134
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.067 0.1443 0.2698
Loa Loa (eye worm) LGC-31 protein 0.0826 0.1904 0.1355
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.199 0.5348 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0826 0.1904 0.356
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0826 0.1904 0.356
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.199 0.5348 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.199 0.5348 1
Onchocerca volvulus 0.0826 0.1904 1
Echinococcus multilocularis glycine receptor subunit beta 0.0826 0.1904 0.356
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Onchocerca volvulus 0.0429 0.0731 0.0758
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0826 0.1904 0.356
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.199 0.5348 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0632 0.1331 0.2489
Leishmania major acetyl-CoA carboxylase, putative 0.0478 0.0876 0.1638
Onchocerca volvulus 0.0429 0.0731 0.0758
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0826 0.1904 0.356
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.199 0.5348 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0826 0.1904 0.1768
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.199 0.5348 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0826 0.1904 0.356
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0478 0.0876 0.1638
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0429 0.0731 0.0134
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0826 0.1904 0.356
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0826 0.1904 0.1768
Schistosoma mansoni neurotransmitter gated ion channel 0.0397 0.0634 0.1186
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0826 0.1904 0.356
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.199 0.5348 1
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Loa Loa (eye worm) hypothetical protein 0.0429 0.0731 0.0103
Onchocerca volvulus 0.0826 0.1904 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.199 0.5348 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0826 0.1904 0.1355
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0429 0.0731 0.1366
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.1847 0.4926 0.921
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0397 0.0634 0.1186
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1286 0.3267 0.6108
Loa Loa (eye worm) hypothetical protein 0.0826 0.1904 0.1355
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.199 0.5348 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.199 0.5348 0.6565
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1286 0.3267 0.4531
Loa Loa (eye worm) ACC-1 protein 0.0826 0.1904 0.1355
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0654 0.1397 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0826 0.1904 0.1768
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Echinococcus granulosus glycine receptor subunit alpha 1 0.0826 0.1904 0.356
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0826 0.1904 0.356
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0632 0.1331 0.2489
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.199 0.5348 1
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.199 0.5348 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0826 0.1904 0.1768
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.199 0.5348 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1358 0.3478 0.3036
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.199 0.5348 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.2823 0.7814 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0623 0.1303 0.933
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1358 0.3478 0.3036
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0826 0.1904 0.356
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0826 0.1904 0.356
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0826 0.1904 0.1768
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.199 0.5348 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0397 0.0634 0.1186
Echinococcus granulosus nAChR subunit 0.0429 0.0731 0.1366
Onchocerca volvulus 0.0826 0.1904 1
Schistosoma mansoni nAChR subunit 0.0826 0.1904 0.356
Echinococcus granulosus glycine receptor subunit alpha 1 0.0826 0.1904 0.356
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.199 0.5348 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.199 0.5348 1
Echinococcus multilocularis glycine receptor subunit beta 0.0826 0.1904 0.356
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0429 0.0731 0.0134
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0632 0.1331 0.2489
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.1847 0.4926 0.921
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.199 0.5348 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0826 0.1904 0.1768
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0826 0.1904 0.356
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0397 0.0634 0.1186
Echinococcus granulosus glycine receptor subunit beta 0.0826 0.1904 0.356
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.199 0.5348 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0826 0.1904 0.1768
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0826 0.1904 0.356
Loa Loa (eye worm) GABA receptor subunit 0.0429 0.0731 0.0103
Schistosoma mansoni nAChR subunit 0.0397 0.0634 0.1186
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0826 0.1904 0.356
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0826 0.1904 0.356
Onchocerca volvulus 0.0826 0.1904 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.199 0.5348 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) >= 10 % Inhibition of collagen-induced platelet aggregation in male SD rats; Inhibition >= 10% but < aspirin (34-96%). ChEMBL. 3373489
Reduction (functional) = 23 % Hypolipidemic activity of the compound was expressed as percent decrease in serum cholesterol in Sprague-Dawley rats ChEMBL. 3373489
Reduction (functional) = 35 % Hypolipidemic activity of the compound was expressed as percent decrease in triglycerides in Sprague-Dawley rats ChEMBL. 3373489

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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