Detailed information for compound 1459575

Basic information

Technical information
  • TDR Targets ID: 1459575
  • Name: (E)-N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-b enzothiazol-2-yl)-3-thiophen-2-ylprop-2-enami de
  • MW: 429.599 | Formula: C22H27N3O2S2
  • H donors: 0 H acceptors: 2 LogP: 4.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)sc(n2)N(C(=O)/C=C/c1cccs1)CCN(CC)CC
  • InChi: 1S/C22H27N3O2S2/c1-4-24(5-2)13-14-25(21(26)12-10-18-8-7-15-28-18)22-23-19-11-9-17(27-6-3)16-20(19)29-22/h7-12,15-16H,4-6,13-14H2,1-3H3/b12-10+
  • InChiKey: WOWPJVSYYOBQTG-ZRDIBKRKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide
  • (E)-N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-thienyl)acrylamide
  • (E)-N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-prop-2-enamide

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
Brugia malayi Amidase family protein 0.0141 0.0872 0.0305
Mycobacterium ulcerans lysophospholipase 0.0727 0.6068 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0109 0.0585 0.0402
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0109 0.0585 0.0402
Brugia malayi Lipase family protein 0.0151 0.0963 0.0402
Echinococcus granulosus tm gpcr rhodopsin 0.0109 0.0585 0.0402
Mycobacterium ulcerans amidase 0.0141 0.0872 0.116
Echinococcus granulosus peptide allatostatin:somatostatin 0.0109 0.0585 0.0402
Echinococcus granulosus somatostatin receptor 0.0109 0.0585 0.0402
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0109 0.0585 0.0402
Trypanosoma cruzi monoglyceride lipase, putative 0.0727 0.6068 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0141 0.0872 0.116
Schistosoma mansoni hypothetical protein 0.0109 0.0585 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus orexin receptor type 2 0.0109 0.0585 0.0402
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0141 0.0872 0.116
Echinococcus multilocularis serotonin receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0141 0.0872 0.0695
Echinococcus multilocularis neuropeptide receptor 0.0109 0.0585 0.0402
Leishmania major monoglyceride lipase, putative 0.0727 0.6068 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus fmrfamide receptor 0.0109 0.0585 0.0402
Schistosoma mansoni neuropeptide receptor 0.0109 0.0585 0.0402
Echinococcus granulosus neuropeptide Y receptor 0.0109 0.0585 0.0402
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0109 0.0585 0.0402
Trypanosoma brucei lipase domain protein, putative 0.0151 0.0963 0.0175
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0109 0.0585 0.0402
Echinococcus granulosus biogenic amine 5HT receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis fmrfamide receptor 0.0109 0.0585 0.0402
Schistosoma mansoni growth hormone secretagogue receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0109 0.0585 0.0402
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0109 0.0585 0.0402
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.0963 0.0175
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0141 0.0872 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0727 0.6068 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0151 0.0963 0.0788
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus tm gpcr rhodopsin 0.0109 0.0585 0.0402
Echinococcus granulosus g protein coupled receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni biogenic amine (5HT) receptor 0.0109 0.0585 0.0402
Echinococcus granulosus hypothetical protein 0.0109 0.0585 0.0402
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.019 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis neuropeptide FF receptor 2 0.0109 0.0585 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0727 0.6068 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Loa Loa (eye worm) amidase 0.0141 0.0872 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.0727 0.6068 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0109 0.0585 0.0402
Schistosoma mansoni amidase 0.117 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.0585 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis G-protein coupled receptor, putative 0.0109 0.0585 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni hypothetical protein 0.0109 0.0585 0.0402
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0109 0.0585 0.0402
Echinococcus granulosus tm gpcr rhodopsin 0.0109 0.0585 0.0402
Schistosoma mansoni amine GPCR 0.0109 0.0585 0.0402
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0727 0.6068 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.0585 0.0402
Schistosoma mansoni opsin-like receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis g-protein coupled receptor 0.0109 0.0585 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Mycobacterium ulcerans amidase 0.0141 0.0872 0.116
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni opsin-like receptor 0.0109 0.0585 0.0402
Echinococcus granulosus ankyrin repeat protein 0.0168 0.1112 0.094
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0109 0.0585 0.0402
Echinococcus multilocularis serotonin receptor 0.0109 0.0585 0.0402
Mycobacterium ulcerans peptide amidase, GatA 0.0141 0.0872 0.116
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.0585 0.0402
Echinococcus granulosus neuropeptide receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis dro:myosuppressin receptor 0.0109 0.0585 0.0402
Echinococcus granulosus neuropeptides capa receptor 0.0109 0.0585 0.0402
Brugia malayi Amidase family protein 0.0141 0.0872 0.0305
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0168 0.1112 0.094
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0727 0.6068 1
Echinococcus multilocularis sex peptide receptor 0.0109 0.0585 0.0402
Trypanosoma brucei lipase domain protein, putative 0.0151 0.0963 0.0175
Echinococcus granulosus g protein coupled receptor 0.0109 0.0585 0.0402
Mycobacterium ulcerans amidase 0.0141 0.0872 0.116
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0109 0.0585 0.0402
Loa Loa (eye worm) amidase 0.0141 0.0872 0.0305
Mycobacterium ulcerans hypothetical protein 0.0727 0.6068 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0109 0.0585 0.0402
Schistosoma mansoni amine GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni biogenic amine receptor 0.0109 0.0585 0.0402
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0141 0.0872 0.116
Echinococcus granulosus neuropeptide receptor A26 0.0109 0.0585 0.0402
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0109 0.0585 0.0402
Plasmodium falciparum lysophospholipase, putative 0.0727 0.6068 1
Schistosoma mansoni adenoreceptor 0.0109 0.0585 0.0402
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.0585 0.0402
Plasmodium falciparum lysophospholipase, putative 0.0727 0.6068 1
Echinococcus multilocularis somatostatin receptor 0.0109 0.0585 0.0402
Schistosoma mansoni neuropeptide receptor 0.0109 0.0585 0.0402
Schistosoma mansoni histamine h1 receptor 0.0109 0.0585 0.0402
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0109 0.0585 0.0402
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0727 0.6068 1
Echinococcus granulosus neuropeptide s receptor 0.0109 0.0585 0.0402
Echinococcus granulosus biogenic amine 5HT receptor 0.0109 0.0585 0.0402
Echinococcus granulosus neuropeptide Y receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis g protein coupled receptor 0.0109 0.0585 0.0402
Schistosoma mansoni neuropeptide F-like receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis neuropeptide s receptor 0.0109 0.0585 0.0402
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0109 0.0585 0.0402
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0109 0.0585 0.0402
Echinococcus granulosus serotonin receptor 0.0109 0.0585 0.0402
Schistosoma mansoni amine GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni neuropeptide receptor 0.0109 0.0585 0.0402
Leishmania major hypothetical protein, conserved 0.0151 0.0963 0.1587
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0151 0.0963 0.0788
Schistosoma mansoni hypothetical protein 0.0109 0.0585 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0109 0.0585 0.0402
Echinococcus multilocularis neuropeptides capa receptor 0.0109 0.0585 0.0402
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0141 0.0872 0.0695
Loa Loa (eye worm) hypothetical protein 0.117 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0109 0.0585 0.0402
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0141 0.0872 0.5
Schistosoma mansoni opsin-like receptor 0.0109 0.0585 0.0402
Schistosoma mansoni myosin xvIII 0.0109 0.0585 0.0402
Schistosoma mansoni fatty-acid amide hydrolase 0.117 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.117 1 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0141 0.0872 0.0695
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0727 0.6068 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0109 0.0585 0.0402
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0109 0.0585 0.0402
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0727 0.6068 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0109 0.0585 0.0402
Echinococcus granulosus neuropeptide FF receptor 2 0.0109 0.0585 0.0402
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0109 0.0585 0.0402
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Leishmania major hypothetical protein, conserved 0.0141 0.0872 0.1437
Schistosoma mansoni biogenic amine receptor 0.0109 0.0585 0.0402
Onchocerca volvulus 0.0151 0.0963 1
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.0963 0.0175
Echinococcus multilocularis neuropeptide receptor 0.0109 0.0585 0.0402
Loa Loa (eye worm) lipase 0.0151 0.0963 0.0402
Schistosoma mansoni alpha-1 adrenergic receptor 0.0109 0.0585 0.0402
Trypanosoma brucei monoglyceride lipase, putative 0.0727 0.6068 1
Echinococcus multilocularis ankyrin repeat protein 0.0168 0.1112 0.094
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0109 0.0585 0.0402
Echinococcus granulosus fatty acid amide hydrolase 1 0.0141 0.0872 0.0695
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0727 0.6068 1
Schistosoma mansoni hypothetical protein 0.0109 0.0585 0.0402
Echinococcus granulosus alpha 1A adrenergic receptor 0.0109 0.0585 0.0402
Echinococcus granulosus neuropeptide receptor 0.0109 0.0585 0.0402
Echinococcus granulosus dro:myosuppressin receptor 0.0109 0.0585 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus tachykinin peptides receptor 99D 0.0109 0.0585 0.0402
Echinococcus multilocularis transient receptor potential cation channel 0.0168 0.1114 0.0942
Schistosoma mansoni amine GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus fatty acid amide hydrolase 1 0.117 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0109 0.0585 0.0402
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.019 0.0313
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis fmrfamide receptor 0.0109 0.0585 0.0402
Schistosoma mansoni neuropeptide receptor 0.0109 0.0585 0.0402
Plasmodium falciparum lysophospholipase, putative 0.0727 0.6068 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis allatostatin A receptor 0.0109 0.0585 0.0402
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.0585 0.0402
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0109 0.0585 0.0402
Echinococcus multilocularis orexin receptor type 2 0.0109 0.0585 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis neuropeptides capa receptor 0.0109 0.0585 0.0402
Plasmodium vivax PST-A protein 0.0727 0.6068 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0141 0.0872 0.0695
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0109 0.0585 0.0402
Brugia malayi putative amidase 0.0141 0.0872 0.0305
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis g protein coupled receptor 0.0109 0.0585 0.0402
Echinococcus granulosus 7tm_1 domain containing protein 0.0109 0.0585 0.0402
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0727 0.6068 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0727 0.6068 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0727 0.6068 1
Schistosoma mansoni biogenic amine receptor 0.0109 0.0585 0.0402
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0109 0.0585 0.0402
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus multilocularis neuropeptide Y receptor 0.0109 0.0585 0.0402
Schistosoma mansoni neuropeptide F-like receptor 0.0109 0.0585 0.0402
Schistosoma mansoni amine GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus 7TM GPCR rhodopsin 0.0109 0.0585 0.0402
Echinococcus multilocularis fatty acid amide hydrolase 1 0.117 1 1
Mycobacterium ulcerans amidase 0.0141 0.0872 0.116
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0141 0.0872 0.0695
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.0585 0.0402
Echinococcus granulosus g protein coupled receptor 0.0109 0.0585 0.0402
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0141 0.0872 0.116
Echinococcus granulosus allatostatin A receptor 0.0109 0.0585 0.0402
Echinococcus granulosus transient receptor potential cation channel 0.0168 0.1112 0.094
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0141 0.0872 0.116
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0141 0.0872 0.116
Echinococcus granulosus fatty acid amide hydrolase 1 0.117 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0109 0.0585 0.0402
Echinococcus granulosus g-protein coupled receptor 0.0109 0.0585 0.0402
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0141 0.0872 0.5
Echinococcus multilocularis g protein coupled receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.0585 0.0402
Plasmodium falciparum esterase, putative 0.0727 0.6068 1
Echinococcus granulosus G protein coupled receptor 139 0.0109 0.0585 0.0402
Echinococcus granulosus sex peptide receptor 0.0109 0.0585 0.0402
Echinococcus multilocularis neuropeptide Y receptor 0.0109 0.0585 0.0402
Mycobacterium ulcerans amidase 0.0141 0.0872 0.116
Trypanosoma brucei monoglyceride lipase, putative 0.0727 0.6068 1

Activities

No activities found for this compound.

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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