Detailed information for compound 670776

Basic information

Technical information
  • TDR Targets ID: 670776
  • Name: ethyl 4-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzo thiolo[3,2-e]pyrimidin-4-yl)oxy]benzoate
  • MW: 382.476 | Formula: C21H22N2O3S
  • H donors: 0 H acceptors: 3 LogP: 5.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)Oc1nc(CC)nc2c1c1CCCCc1s2
  • InChi: 1S/C21H22N2O3S/c1-3-17-22-19(18-15-7-5-6-8-16(15)27-20(18)23-17)26-14-11-9-13(10-12-14)21(24)25-4-2/h9-12H,3-8H2,1-2H3
  • InChiKey: OIWMAEVNARKGEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[(2-ethyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl)oxy]benzoate
  • 4-[(2-ethyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl)oxy]benzoic acid ethyl ester
  • AF-399/15337177
  • Oprea1_591226
  • ZINC00710256

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
Loa Loa (eye worm) pyruvate kinase 0.007 0.1728 0.2519
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0773 0.4423
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.3135 0.457
Loa Loa (eye worm) hypothetical protein 0.003 0.0459 0.067
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0037 0.0054
Mycobacterium ulcerans pyruvate kinase 0.007 0.1728 0.5
Brugia malayi follicle stimulating hormone receptor 0.0235 0.686 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0459 0.0445
Leishmania major pyruvate kinase 0.007 0.1728 1
Echinococcus multilocularis pyruvate kinase 0.0036 0.0663 0.0649
Loa Loa (eye worm) hypothetical protein 0.0051 0.1117 0.1629
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.1728 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0885 0.5078
Brugia malayi isocitrate dehydrogenase 0.0015 0.0015 0.0021
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0885 0.5078
Brugia malayi PHD-finger family protein 0.003 0.0459 0.067
Plasmodium falciparum phd finger protein, putative 0.003 0.0459 0.2596
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0885 0.5078
Entamoeba histolytica hypothetical protein 0.0112 0.3036 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0983 0.097
Echinococcus multilocularis pyruvate kinase 0.0055 0.1267 0.1254
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0015 0.0021
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.3988 0.3979
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0983 0.097
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.3036 0.3026
Plasmodium falciparum pyruvate kinase 0.007 0.1728 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0983 0.097
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0459 0.0445
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0653 0.0952
Loa Loa (eye worm) pyruvate kinase 0.007 0.1728 0.2519
Loa Loa (eye worm) hypothetical protein 0.0049 0.1066 0.1553
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0022
Echinococcus granulosus peregrin 0.0033 0.0572 0.0558
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.3135 0.457
Chlamydia trachomatis pyruvate kinase 0.007 0.1728 0.5
Leishmania major pyruvate kinase 0.007 0.1728 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.2554 0.2543
Loa Loa (eye worm) pyruvate kinase 0.007 0.1728 0.2519
Loa Loa (eye worm) hypothetical protein 0.0035 0.0615 0.0896
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0015 0.0021
Brugia malayi hypothetical protein 0.0112 0.3036 0.4426
Echinococcus granulosus pyruvate kinase 0.0036 0.0663 0.0649
Brugia malayi Bromodomain containing protein 0.0033 0.0572 0.0833
Toxoplasma gondii pyruvate kinase PyKII 0.0036 0.0663 0.3781
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1113 0.1622
Schistosoma mansoni hypothetical protein 0.0335 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.3036 0.3026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0653 0.0639
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0037 0.0054
Plasmodium falciparum pyruvate kinase 2 0.0036 0.0663 0.3781
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.1728 1
Schistosoma mansoni hypothetical protein 0.0335 1 1
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0021 0.0201 0.0293
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0459 0.2596
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0653 0.0639
Echinococcus multilocularis geminin 0.0335 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.144 0.2099
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0022
Entamoeba histolytica hypothetical protein 0.0112 0.3036 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0459 0.0445
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.4116 0.4108
Entamoeba histolytica hypothetical protein 0.0112 0.3036 1
Plasmodium vivax pyruvate kinase 2, putative 0.0036 0.0663 0.3781
Echinococcus granulosus pyruvate kinase 0.007 0.1728 0.1716
Echinococcus multilocularis pyruvate kinase 0.0036 0.0663 0.0649
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1113 0.1622
Loa Loa (eye worm) hypothetical protein 0.0016 0.0037 0.0054
Giardia lamblia Pyruvate kinase 0.0036 0.0663 0.1601
Brugia malayi jmjC domain containing protein 0.0097 0.2554 0.3723
Echinococcus multilocularis pyruvate kinase 0.0036 0.0663 0.0649
Plasmodium vivax pyruvate kinase, putative 0.007 0.1728 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1113 0.1622
Trypanosoma brucei pyruvate kinase 1, putative 0.007 0.1728 1
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0022
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.1728 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0773 0.2469
Echinococcus granulosus GPCR family 2 0.0016 0.0037 0.0022
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0653 0.0639
Entamoeba histolytica pyruvate kinase, putative 0.0049 0.1066 0.1295
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.082 0.0807
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0615 0.0896
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.1728 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0037 0.0054
Schistosoma mansoni hypothetical protein 0.0112 0.3036 0.3026
Schistosoma mansoni pyruvate kinase 0.007 0.1728 0.1716
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0459 0.067
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.1728 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0983 0.097
Brugia malayi Pyruvate kinase, muscle isozyme 0.007 0.1728 0.2519
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0983 0.097
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0022
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.2554 0.2543
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.686 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0983 0.1433
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0983 0.097
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.4116 0.6
Toxoplasma gondii pyruvate kinase PyK1 0.007 0.1728 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0983 0.097
Echinococcus multilocularis pyruvate kinase 0.007 0.1728 0.1716
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0037 0.0022
Echinococcus granulosus pyruvate kinase 0.0036 0.0663 0.0649
Brugia malayi MH2 domain containing protein 0.0115 0.3135 0.457
Echinococcus granulosus pyruvate kinase 0.007 0.1728 0.1716
Loa Loa (eye worm) pyruvate kinase-PB 0.0049 0.1066 0.1553
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.1728 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0459 0.2596
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.3036 0.3026
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.007 0.1728 1
Entamoeba histolytica hypothetical protein 0.0112 0.3036 1
Schistosoma mansoni hypothetical protein 0.0035 0.0615 0.0601
Echinococcus granulosus jumonji domain containing protein 0.0041 0.082 0.0807
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0885 0.0871
Loa Loa (eye worm) hypothetical protein 0.007 0.1728 0.2519
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1935 0.1923
Echinococcus multilocularis peregrin 0.0033 0.0572 0.0558
Loa Loa (eye worm) hypothetical protein 0.005 0.1113 0.1622
Giardia lamblia Pyruvate kinase 0.007 0.1728 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.007 0.1728 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0022
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0983 0.1433
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0653 0.0639
Schistosoma mansoni hypothetical protein 0.0016 0.0037 0.0022
Loa Loa (eye worm) acetyltransferase 0.0147 0.4116 0.6
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.1728 1
Schistosoma mansoni pyruvate kinase 0.007 0.1728 0.1716
Echinococcus granulosus pyruvate kinase 0.0036 0.0663 0.0649
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.4116 0.4108
Brugia malayi Pyruvate kinase, M2 isozyme 0.007 0.1728 0.2519
Echinococcus multilocularis GPCR, family 2 0.0016 0.0037 0.0022
Trypanosoma brucei pyruvate kinase 1 0.007 0.1728 1
Brugia malayi jmjC domain containing protein 0.0036 0.0653 0.0952
Schistosoma mansoni pyruvate kinase 0.0036 0.0663 0.0649
Echinococcus multilocularis pyruvate kinase 0.007 0.1728 0.1716
Plasmodium vivax hypothetical protein, conserved 0.003 0.0459 0.2596
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0037 0.0022
Schistosoma mansoni hypothetical protein 0.003 0.0459 0.0445

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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