Detailed information for compound 772781

Basic information

Technical information
  • TDR Targets ID: 772781
  • Name: 1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-t riazol-1-yl]-2-methoxyethanone
  • MW: 312.323 | Formula: C16H16N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)n1nc(nc1NCc1ccco1)c1ccccc1
  • InChi: 1S/C16H16N4O3/c1-22-11-14(21)20-16(17-10-13-8-5-9-23-13)18-15(19-20)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,17,18,19)
  • InChiKey: VBVCRJRIPVGCAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-(2-furylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-methoxy-ethanone
  • 1-[5-(2-furylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-methoxyethanone
  • 1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-methoxy-ethanone
  • STK132879
  • ZINC00610909

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
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0038 0.0018 0.0069
Loa Loa (eye worm) hypothetical protein 0.0042 0.0042 0.0305
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.123 0.6142
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0018 0.0113
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0171 0.1358
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0098 0.0387 0.3038
Brugia malayi Steroid receptor seven-up type 2 0.0038 0.0018 0.0113
Brugia malayi TAR-binding protein 0.0063 0.0171 0.1358
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0096 0.0758
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0386 0.1862
Schistosoma mansoni inositol monophosphatase 0.0039 0.0025 0.0104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0107 0.0835
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.006 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0018 0.0113
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0018 0.0113
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0226 1
Schistosoma mansoni hypothetical protein 0.0112 0.0472 0.2355
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0025 0.0007
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0379 0.3059
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0171 0.1358
Loa Loa (eye worm) steroid hormone receptor 0.0038 0.0018 0.0113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0096 0.0758
Brugia malayi nuclear hormone receptor 0.0038 0.0018 0.0113
Schistosoma mansoni hypothetical protein 0.0048 0.0079 0.0372
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.0115 0.09
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0241 0.1272 0.6741
Schistosoma mansoni patched 1 0.0042 0.0042 0.0188
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.0226 0.178
Treponema pallidum hypothetical protein 0.0083 0.0297 1
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0025 0.0035
Schistosoma mansoni RAR-like nuclear receptor 0.0038 0.0018 0.0069
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Schistosoma mansoni inositol monophosphatase 0.0039 0.0025 0.0104
Loa Loa (eye worm) hypothetical protein 0.0052 0.0107 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0038 0.0018 0.0113
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.123 0.1213
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0171 0.0838
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0171 0.0838
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0038 0.0018 0.0113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.0226 0.178
Schistosoma mansoni thyroid hormone receptor 0.0038 0.0018 0.0069
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.0226 0.1087
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0096 0.0758
Entamoeba histolytica hypothetical protein 0.0112 0.0472 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0042 0.0305
Loa Loa (eye worm) hypothetical protein 0.0054 0.0115 0.0896
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.0644 0.3172
Loa Loa (eye worm) hypothetical protein 0.0234 0.123 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0171 0.0838
Brugia malayi hypothetical protein 0.0234 0.123 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0037 0.0263
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0096 0.0758
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0379 0.183
Entamoeba histolytica hypothetical protein 0.0112 0.0472 1
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0018 0.0069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0107 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0038 0.0018 0.0113
Loa Loa (eye worm) inositol-1 0.0039 0.0025 0.0168
Echinococcus multilocularis expressed conserved protein 0.0092 0.0349 0.0331
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0226 0.4499
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.0018 0.0069
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0042 0.012
Schistosoma mansoni hypothetical protein 0.004 0.0033 0.0141
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0226 0.1087
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0115 0.0482
Schistosoma mansoni hypothetical protein 0.004 0.0033 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0038 0.0018 0.0113
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0226 0.181
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0171 0.0838
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0386 0.8064
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0038 0.0018 0.0069
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0018 0.0113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0025 0.5
Brugia malayi RNA binding protein 0.0063 0.0171 0.1358
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0038 0.0018 0.0113
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0115 0.0896
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0098 0.0387 0.1953
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0018 0.0113
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0226 0.4499
Brugia malayi Inositol-1 0.0039 0.0025 0.0168
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0107 0.0835
Schistosoma mansoni hypothetical protein 0.004 0.0033 0.0141
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0226 1
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.0472 0.2355
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0025 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0379 0.1887
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Echinococcus granulosus expressed conserved protein 0.0092 0.0349 0.1677
Mycobacterium ulcerans hypothetical protein 0.0072 0.0226 0.1087
Echinococcus multilocularis geminin 0.0358 0.1991 0.1976
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.0115 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0115 0.0896
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0173 0.085 0.6678
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0025 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0379 0.0362
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0038 0.0018 0.0069
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.0226 0.1087
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.006 0.0211
Mycobacterium ulcerans hypothetical protein 0.0083 0.0297 0.1469
Loa Loa (eye worm) hypothetical protein 0.0072 0.0226 0.181
Loa Loa (eye worm) hypothetical protein 0.0072 0.0226 0.181
Schistosoma mansoni hypothetical protein 0.0358 0.1991 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0042 0.012
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0042 0.0024
Schistosoma mansoni hypothetical protein 0.004 0.0033 0.0141
Schistosoma mansoni retinoic acid receptor RXR 0.0038 0.0018 0.0069
Schistosoma mansoni coup transcription factor 0.0038 0.0018 0.0069
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0512 0.2941 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0038 0.0018 0.0113
Treponema pallidum quinoline 2-oxidoreductase 0.0081 0.0285 0.8682
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.0724 0.0706
Loa Loa (eye worm) hypothetical protein 0.0098 0.0386 0.3111
Loa Loa (eye worm) acetyltransferase 0.0152 0.0724 0.5868
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0025 0.5
Onchocerca volvulus 0.0072 0.0226 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0386 0.3111
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.0226 0.4499
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0038 0.0018 0.0113
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.0724 0.3619
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0379 0.3059
Brugia malayi nuclear receptor NHR-88 0.0038 0.0018 0.0113
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0152 0.072 0.3753
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0379 0.0362
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0226 0.1087
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0098 0.0387 0.1953
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0038 0.0018 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0038 0.0018 0.0113
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0226 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0054 0.0115 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0079 0.0604
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0226 0.181
Entamoeba histolytica hypothetical protein 0.0112 0.0472 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0038 0.0018 0.0069
Loa Loa (eye worm) hypothetical protein 0.0051 0.01 0.078
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.006 0.0119
Loa Loa (eye worm) hypothetical protein 0.0054 0.0115 0.0896
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.0472 0.0455
Brugia malayi ecdysteroid receptor 0.0038 0.0018 0.0113
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.006 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.0226 0.1087
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0226 1
Echinococcus multilocularis protein patched 0.0042 0.0042 0.0024
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.0115 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0241 0.1272 1
Onchocerca volvulus 0.0048 0.0079 0.2894
Brugia malayi CHE-14 protein 0.0042 0.0042 0.0305
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0173 0.085 0.4456
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Schistosoma mansoni hypothetical protein 0.0358 0.1991 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0038 0.0018 0.0113
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0226 0.1087
Trichomonas vaginalis aldehyde oxidase, putative 0.0512 0.2941 1
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0339 0.1875 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Schistosoma mansoni survival motor neuron protein 0.0048 0.0079 0.0372
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0171 0.0153
Entamoeba histolytica hypothetical protein 0.0112 0.0472 1
Schistosoma mansoni thyroid hormone receptor 0.0038 0.0018 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0038 0.0018 0.0113
Loa Loa (eye worm) hypothetical protein 0.0072 0.0226 0.181
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0386 0.0368
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0171 0.0838
Brugia malayi hypothetical protein 0.0112 0.0472 0.3817
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.0697 0.3441
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0512 0.2941 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0171 0.0774
Echinococcus granulosus geminin 0.0358 0.1991 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0379 0.183
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0395 0.1966
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0226 0.1087
Loa Loa (eye worm) hypothetical protein 0.0054 0.0115 0.0896
Brugia malayi steroid hormone receptor 0.0038 0.0018 0.0113
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0241 0.1272 0.6741
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.0472 0.2301
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0037 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0173 0.085 0.4456
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0038 0.0018 0.0113
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.0724 0.5868
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0171 0.1358
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0018 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0042 0.0058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0379 0.1887
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0226 0.181
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0018 0.0113
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.006 0.0119
Echinococcus multilocularis protein dispatched 1 0.0048 0.0079 0.006
Schistosoma mansoni steroid hormone receptor ad4bp 0.0038 0.0018 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0038 0.0018 0.0113
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.0644 0.0627
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0038 0.0018 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0018 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0379 0.1887
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0038 0.0018 0.0113
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0038 0.0018 0.0069
Loa Loa (eye worm) RNA binding protein 0.0063 0.0171 0.1358

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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