Detailed information for compound 803697

Basic information

Technical information
  • TDR Targets ID: 803697
  • Name: 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-3a,6 a-dihydropyrrolo[3,4-d]triazol-1-yl]-N-(4-eth oxyphenyl)acetamide
  • MW: 445.831 | Formula: C20H17ClFN5O4
  • H donors: 1 H acceptors: 3 LogP: 3.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)F
  • InChi: 1S/C20H17ClFN5O4/c1-2-31-13-6-3-11(4-7-13)23-16(28)10-26-18-17(24-25-26)19(29)27(20(18)30)12-5-8-15(22)14(21)9-12/h3-9,17-18H,2,10H2,1H3,(H,23,28)
  • InChiKey: QULHZFYIYZOCNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-(3-chloro-4-fluoro-phenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-1-yl]-N-(4-ethoxyphenyl)acetamide
  • 2-[5-(3-chloro-4-fluoro-phenyl)-4,6-diketo-3a,6a-dihydropyrrolo[3,4-d]triazol-1-yl]-N-(4-ethoxyphenyl)acetamide
  • 2-[5-(3-chloro-4-fluoro-phenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(4-ethoxyphenyl)ethanamide

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 latrophilin 2 splice variant baaae 0.0035 0.0341 0.0341
Brugia malayi chromobox protein homolog 3 0.0042 0.0621 0.0621
Trichomonas vaginalis glucosylceramidase, putative 0.0269 1 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0127 0.4165 0.5
Schistosoma mansoni lipoxygenase 0.0135 0.4479 1
Brugia malayi Heterochromatin protein 1 0.0074 0.1966 0.1966
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.2918 0.2918
Onchocerca volvulus 0.0127 0.4165 0.6596
Loa Loa (eye worm) hypothetical protein 0.0051 0.1005 0.0773
Trichomonas vaginalis cdc25b, putative 0.0127 0.4165 0.4094
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Brugia malayi RNA binding protein 0.0065 0.1573 0.1573
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0621 0.0624
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.1528 0.1861
Loa Loa (eye worm) hypothetical protein 0.0042 0.0621 0.038
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0127 0.4165 0.4094
Brugia malayi Rhodanese-like domain containing protein 0.0127 0.4165 0.4165
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1573 0.1941
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0065 0.1571 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0341 0.0092
Schistosoma mansoni lipoxygenase 0.0094 0.2802 0.5948
Onchocerca volvulus 0.0127 0.4165 0.6596
Trichomonas vaginalis glucosylceramidase, putative 0.0269 1 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0127 0.4165 0.4094
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0127 0.4165 0.4094
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1573 0.1573
Trichomonas vaginalis glucosylceramidase, putative 0.0269 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.1528 0.1861
Echinococcus granulosus chromobox protein 1 0.0074 0.1966 0.2642
Echinococcus multilocularis chromobox protein 1 0.0074 0.1966 0.2642
Trichomonas vaginalis glucosylceramidase, putative 0.0269 1 1
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0127 0.4165 0.9242
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1573 0.2977
Loa Loa (eye worm) RNA binding protein 0.0065 0.1573 0.1356
Brugia malayi Bromodomain containing protein 0.008 0.22 0.22
Loa Loa (eye worm) hypothetical protein 0.0127 0.4165 0.4015
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0127 0.4165 0.6563
Loa Loa (eye worm) hypothetical protein 0.0043 0.0695 0.0456
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.2918 0.6229
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1573 0.2977
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.1571 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.6093 0.5993
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0127 0.4165 0.4094
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.1571 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0751 0.0844
Echinococcus granulosus tar DNA binding protein 0.0065 0.1573 0.1941
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.2918 0.434
Loa Loa (eye worm) hypothetical protein 0.0127 0.4165 0.4015
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1966 0.1868
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.6577 0.6535
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1573 0.2977
Echinococcus multilocularis chromobox protein 1 0.0074 0.1966 0.2642
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.1571 0.2973
Echinococcus multilocularis muscleblind protein 1 0.0174 0.6093 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0621 0.0507
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0751 0.0639
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0751 0.0639
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1573 0.1356
Entamoeba histolytica rodhanase-like domain containing protein 0.0127 0.4165 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.2918 0.434
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1573 0.2977
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0135 0.4479 0.7123
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.1571 0.1937
Loa Loa (eye worm) hypothetical protein 0.0174 0.6093 0.5993
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1005 0.1005
Schistosoma mansoni bromodomain containing protein 0.0067 0.1685 0.3249
Onchocerca volvulus 0.0127 0.4165 0.6596
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.6185 1
Trichomonas vaginalis cdc25b, putative 0.0127 0.4165 0.4094
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.6577 0.6535
Brugia malayi Rhodanese-like domain containing protein 0.0127 0.4165 0.4165
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1573 0.1356
Loa Loa (eye worm) hypothetical protein 0.0117 0.3754 0.3594
Schistosoma mansoni chromobox protein 0.0074 0.1966 0.3927
Loa Loa (eye worm) hypothetical protein 0.0117 0.3754 0.3594
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0135 0.4479 0.7123
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 1 1
Brugia malayi Muscleblind-like protein 0.0174 0.6093 0.6093
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Echinococcus granulosus muscleblind protein 0.0174 0.6093 1
Trichomonas vaginalis cdc25c, putative 0.0127 0.4165 0.4094
Entamoeba histolytica rodhanase-like domain containing protein 0.0127 0.4165 0.5
Brugia malayi Bromodomain containing protein 0.0041 0.0588 0.0588
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1005 0.0773
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1966 0.1759
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.2918 0.434
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1966 0.1868
Onchocerca volvulus 0.0127 0.4165 0.6596
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0127 0.4165 0.4094
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0621 0.0507
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0065 0.1571 0.5
Schistosoma mansoni chromobox protein 0.0074 0.1966 0.3927
Brugia malayi TAR-binding protein 0.0065 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0041 0.0591 0.0349
Loa Loa (eye worm) hypothetical protein 0.0045 0.0779 0.0542
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.2918 0.6229
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.2918 0.434
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1573 0.2977
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.6185 0.6139
Echinococcus granulosus chromobox protein 1 0.0074 0.1966 0.2642
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.1571 0.1937
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0127 0.4165 0.6563
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1571 0.1571
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1391 0.117
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.2918 0.6229
Echinococcus multilocularis muscleblind protein 0.0174 0.6093 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1005 0.1005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.2918 0.2736
Loa Loa (eye worm) hypothetical protein 0.0075 0.2012 0.1807

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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