Detailed information for compound 1419883

Basic information

Technical information
  • TDR Targets ID: 1419883
  • Name: N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[2,3-e] [1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
  • MW: 356.374 | Formula: C17H13FN4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nn2c(n1)scc2CCNC(=O)c1ccco1
  • InChi: 1S/C17H13FN4O2S/c18-12-5-3-11(4-6-12)15-20-17-22(21-15)13(10-25-17)7-8-19-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23)
  • InChiKey: NUCBSOIZFJFTSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2-(4-fluorophenyl)thiazolo[2,3-e][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
  • N-[2-[2-(4-fluorophenyl)-6-thiazolo[2,3-e][1,2,4]triazolyl]ethyl]-2-furancarboxamide
  • N-[2-[2-(4-fluorophenyl)thiazolo[2,3-e][1,2,4]triazol-6-yl]ethyl]-2-furamide
  • G786-2096
  • NCGC00134426-01
  • ZINC04478852

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 Regulator of G protein signaling domain containing protein 0.002 0.0162 0.0405
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0027 0.0086
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0397 0.0521
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0162 0.0551
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0268 0.3994 1
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.2714 0.6684
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0134 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0655 1 1
Brugia malayi Inositol-1 0.0037 0.0411 0.103
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0655 1 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0397 0.0521
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.025 1
Echinococcus granulosus expressed protein 0.002 0.0162 0.0551
Brugia malayi hypothetical protein 0.0026 0.025 0.0626
Mycobacterium tuberculosis Conserved hypothetical protein 0.0345 0.5194 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.025 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0655 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0197 0.2905 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0397 0.0994
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0162 0.0405
Loa Loa (eye worm) PXA domain-containing protein 0.002 0.0162 0.04
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0169 0.0419
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1354 0.4656
Echinococcus granulosus G protein coupled receptor kinase 1 0.0177 0.2588 0.8909
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0397 0.0521
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0352 0.0877
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1354 0.4656
Loa Loa (eye worm) hypothetical protein 0.0036 0.0397 0.099
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.0073
Loa Loa (eye worm) inositol-1 0.0037 0.0411 0.1025
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.0073
Echinococcus multilocularis cpg binding protein 0.0035 0.0381 0.1305
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0397 0.0521
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0092 0.1273 0.1155
Loa Loa (eye worm) hypothetical protein 0.0036 0.0397 0.099
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0197 0.2905 0.7271
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0397 0.0683
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0169 0.0424
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0169 0.0495
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.04
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0162 0.0469
Brugia malayi beta-lactamase 0.0036 0.0397 0.0994
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0397 0.0521
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0397 0.099
Entamoeba histolytica hypothetical protein 0.0039 0.0444 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1354 0.4656
Loa Loa (eye worm) RGS-3 protein 0.002 0.0162 0.04
Brugia malayi hypothetical protein 0.002 0.0162 0.0405
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0162 0.0551
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0162 0.0551
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0397 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0411 0.1336
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0162 0.0551
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0162 0.0551
Onchocerca volvulus 0.0036 0.0397 0.0204
Brugia malayi beta-lactamase family protein 0.0036 0.0397 0.0994
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.2568 1
Leishmania major hypothetical protein, conserved 0.0036 0.0397 0.0267
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0397 0.0683
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0162 0.0551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1354 0.461
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0397 0.0267
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0411 0.141
Mycobacterium tuberculosis Conserved protein 0.0036 0.0397 0.0521
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0411 0.072
Schistosoma mansoni ap endonuclease 0.0019 0.0134 0.0371
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.04
Echinococcus granulosus cpg binding protein 0.0035 0.0381 0.1305
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0397 0.0521
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0411 0.2059
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0397 0.0683
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.04
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1354 0.461
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0444 0.1451
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.1354 0.3389
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.0073
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0397 0.1361
Schistosoma mansoni hypothetical protein 0.0039 0.0444 0.1451
Echinococcus granulosus beta-adrenergic receptor kinase 0.0197 0.2905 1
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0162 0.0551
Mycobacterium tuberculosis Conserved protein 0.0036 0.0397 0.0521
Schistosoma mansoni regulator of G protein signaling 0.002 0.0162 0.0469
Brugia malayi PXA domain containing protein 0.002 0.0162 0.0405
Echinococcus multilocularis Regulator of G protein signaling 20 0.002 0.0162 0.0551
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.0073
Brugia malayi A-kinase anchor protein 10, precursor 0.002 0.0162 0.0405
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0411 0.072
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Loa Loa (eye worm) hypothetical protein 0.0036 0.0397 0.099
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0411 0.0282
Brugia malayi hypothetical protein 0.0039 0.0444 0.1113
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.3994 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0397 0.0521
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.002 0.0162 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0397 0.099
Brugia malayi CXXC zinc finger family protein 0.0033 0.0352 0.0881
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0162 0.0551
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.04
Entamoeba histolytica hypothetical protein 0.0039 0.0444 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1354 0.4656
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0397 0.1287
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0411 0.072
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.025 0.0118
Schistosoma mansoni serine/threonine protein kinase 0.0197 0.2905 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Mycobacterium leprae Probable lipase LipE 0.0036 0.0397 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0162 0.0469
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.031 0.4651 0.4579
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0352 0.0432
Entamoeba histolytica hypothetical protein 0.0039 0.0444 1
Echinococcus granulosus axis inhibition protein axin 0.002 0.0162 0.0551
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.002 0.0162 0.0551
Mycobacterium ulcerans hypothetical protein 0.0345 0.5194 1
Onchocerca volvulus 0.0036 0.0397 0.0204
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.025 0.0118
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.031 0.4651 0.4579
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.3994 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.002 0.0162 0.0551
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0162 0.0551
Entamoeba histolytica hypothetical protein 0.002 0.0162 0.091
Brugia malayi beta-lactamase family protein 0.0036 0.0397 0.0994
Schistosoma mansoni regulator of G protein signaling 0.002 0.0162 0.0469
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0444 0.1524
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0134 0.0329
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.3371 0.6398
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.1354 0.3385
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.025 0.4426
Entamoeba histolytica hypothetical protein 0.002 0.0162 0.091
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.002 0.0162 0.0469
Mycobacterium ulcerans beta-lactamase 0.0036 0.0397 0.0521
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0411 1
Leishmania major hypothetical protein, conserved 0.0026 0.025 0.0118
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0397 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0411 0.1336
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.092 0.3104
Schistosoma mansoni z-protein (S1r protein) 0.002 0.0162 0.0469
Brugia malayi PXA domain containing protein 0.002 0.0162 0.0405
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0397 0.0267
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0411 0.0282
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0092 0.1273 0.1155
Brugia malayi hypothetical protein 0.0017 0.0107 0.0267
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0397 0.0683
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2568 0.6305
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0162 0.0551
Schistosoma mansoni regulator of G protein signaling 0.002 0.0162 0.0469
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.031 0.4651 0.4579
Toxoplasma gondii ABC1 family protein 0.0036 0.0397 0.1954
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0411 0.0282
Entamoeba histolytica hypothetical protein 0.0039 0.0444 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.002 0.0162 0.04
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0397 0.1361
Brugia malayi hypothetical protein 0.002 0.0162 0.0405
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.04
Schistosoma mansoni regulator of G protein signaling 0.002 0.0162 0.0469
Echinococcus multilocularis expressed protein 0.002 0.0162 0.0551
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0092 0.1273 0.1155
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0397 0.0267
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0134 0.0334
Echinococcus multilocularis beta adrenergic receptor kinase 0.0197 0.2905 1
Echinococcus granulosus Regulator of G protein signaling 20 0.002 0.0162 0.0551
Entamoeba histolytica hypothetical protein 0.002 0.0162 0.091
Brugia malayi regulator of G-protein signaling egl-10 0.002 0.0162 0.0405
Echinococcus granulosus axis inhibition protein axin 0.002 0.0162 0.0551
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0397 0.0521
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0268 0.3994 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0162 0.04
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0411 0.0549
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0397 0.1287
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0162 0.0073
Onchocerca volvulus 0.0036 0.0397 0.0204
Loa Loa (eye worm) hypothetical protein 0.0036 0.0397 0.099
Schistosoma mansoni cpg binding protein 0.0033 0.0352 0.113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0411 0.0282
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0134 0.0453
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.025 0.0865
Mycobacterium ulcerans hypothetical protein 0.0036 0.0397 0.0521
Loa Loa (eye worm) hypothetical protein 0.0026 0.025 0.0622
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.3994 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1354 0.461
Schistosoma mansoni axis inhibition protein axin 0.002 0.0162 0.0469
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0397 0.0521
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0805 0.4979
Loa Loa (eye worm) beta-lactamase 0.0036 0.0397 0.099
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.3994 1
Schistosoma mansoni cpg binding protein 0.0035 0.0381 0.123
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0177 0.2588 0.8909
Mycobacterium ulcerans lipase LipD 0.0036 0.0397 0.0521
Schistosoma mansoni axis inhibition protein axin 0.002 0.0162 0.0469
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0027 0.0086
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0134 0.0453
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.2714 0.6684
Schistosoma mansoni regulator of G protein signaling 0.002 0.0162 0.0469
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.3994 1
Schistosoma mansoni cpg binding protein 0.0035 0.0381 0.123
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0411 0.141
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.3994 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.025 0.0118
Brugia malayi regulator of G-protein signaling rgs-7 0.002 0.0162 0.0405
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0112 0.1585 0.1472
Toxoplasma gondii hypothetical protein 0.0106 0.1483 1
Schistosoma mansoni ap endonuclease 0.0019 0.0134 0.0371
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0134 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0411 0.8938
Loa Loa (eye worm) hypothetical protein 0.0036 0.0397 0.099
Trichomonas vaginalis esterase, putative 0.0036 0.0397 0.0683
Mycobacterium tuberculosis Conserved protein 0.0036 0.0397 0.0521
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0092 0.1273 0.1155
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0397 0.0683
Echinococcus multilocularis regulator of G protein signaling 0.002 0.0162 0.0551
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0444 0.1524

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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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