Detailed information for compound 1469112

Basic information

Technical information
  • TDR Targets ID: 1469112
  • Name: 2-[(5-furan-2-yl-4-methyl-1,2,4-triazol-3-yl) sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)b utanamide
  • MW: 364.446 | Formula: C14H16N6O2S2
  • H donors: 1 H acceptors: 5 LogP: 2.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)Nc1nnc(s1)C)Sc1nnc(n1C)c1ccco1
  • InChi: 1S/C14H16N6O2S2/c1-4-10(12(21)15-13-18-16-8(2)23-13)24-14-19-17-11(20(14)3)9-6-5-7-22-9/h5-7,10H,4H2,1-3H3,(H,15,18,21)
  • InChiKey: RPKGATSDADDSDV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
  • 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
  • 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butyramide
  • ASN 15350567
  • STK230766

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus neurogenic locus notch protein 0.0017 0.2396 0.2396
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Brugia malayi EGF-like domain containing protein 0.0017 0.2427 0.2427
Echinococcus multilocularis neurogenic locus protein delta 0.0017 0.2396 0.2396
Brugia malayi Animal haem peroxidase family protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Echinococcus multilocularis protein jagged 1 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.9969 0.9969
Echinococcus multilocularis fat cadherin tumor suppressor 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Onchocerca volvulus 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Brugia malayi Animal haem peroxidase family protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0017 0.2427 0.2427
Brugia malayi Animal haem peroxidase family protein 0.0053 0.9969 0.9969
Schistosoma mansoni cell polarity protein 0.0017 0.2396 0.2396
Echinococcus multilocularis neurogenic locus notch protein 4 0.0017 0.2396 0.2396
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Echinococcus multilocularis neurogenic locus notch protein 0.0017 0.2396 0.2396
Brugia malayi Delta serrate ligand family protein 0.0017 0.2396 0.2396
Echinococcus granulosus neurogenic locus notch protein 0.0017 0.2396 0.2396
Echinococcus multilocularis neurogenic locus notch protein 0.0017 0.2396 0.2396
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.3584 0.5
Schistosoma mansoni notch 0.0017 0.2396 0.2396
Schistosoma mansoni notch 0.0017 0.2396 0.2396
Brugia malayi EGF-like domain containing protein 0.0017 0.2396 0.2396
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.3584 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Echinococcus multilocularis slit 2 protein 0.0017 0.2427 0.2427
Echinococcus multilocularis protein jagged 2 0.0017 0.2396 0.2396
Brugia malayi Cadherin domain containing protein 0.0017 0.2396 0.2396
Echinococcus granulosus protein jagged 2 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.3584 0.5
Brugia malayi EGF-like domain containing protein 0.0017 0.2396 0.2396
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Echinococcus multilocularis fibropellin Ia 0.0017 0.2396 0.2396
Onchocerca volvulus 0.0017 0.2396 0.2396
Schistosoma mansoni peroxidasin 0.0053 0.9969 0.9969
Echinococcus multilocularis neural cadherin 0.0017 0.2396 0.2396
Echinococcus granulosus neural cadherin 0.0017 0.2396 0.2396
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.3584 0.3584
Onchocerca volvulus 0.0017 0.2396 0.2396
Onchocerca volvulus Peroxidasin homolog 0.0053 1 1
Brugia malayi Animal haem peroxidase family protein 0.0053 0.9969 0.9969
Brugia malayi EGF-like domain containing protein 0.0017 0.2396 0.2396
Echinococcus granulosus notch 0.0017 0.2396 0.2396
Echinococcus granulosus neurogenic locus notch protein 4 0.0017 0.2396 0.2396
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Echinococcus granulosus protein jagged 1 0.0017 0.2396 0.2396
Echinococcus granulosus slit 2 protein 0.0017 0.2427 0.2427
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.3584 0.5
Onchocerca volvulus 0.0053 0.9969 0.9969
Schistosoma mansoni notch 0.0017 0.2396 0.2396
Schistosoma mansoni notch 0.0017 0.2396 0.2396
Onchocerca volvulus Peroxidasin homolog 0.0053 0.9969 0.9969
Schistosoma mansoni notch 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Onchocerca volvulus 0.0053 0.9969 0.9969
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.3584 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0017 0.2396 0.2396
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.3584 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.3584 0.3584
Brugia malayi EGF-like domain containing protein 0.0017 0.2396 0.2396
Brugia malayi Blistered cuticle protein 3 0.0053 0.9969 0.9969
Schistosoma mansoni septate junction protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Onchocerca volvulus Dual oxidase homolog 0.0053 0.9969 0.9969
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0017 0.2396 0.2396
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.3584 0.5
Echinococcus multilocularis peroxidasin 0.0053 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.3584 0.5
Onchocerca volvulus 0.0017 0.2396 0.2396
Loa Loa (eye worm) Notch2 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Echinococcus multilocularis neurogenic locus protein delta 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Onchocerca volvulus Peroxidase homolog 0.0053 0.9969 0.9969
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.9969 0.9969
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.3584 0.5
Echinococcus granulosus protein jagged 1 0.0017 0.2396 0.2396
Echinococcus granulosus protein jagged 2 0.0017 0.2396 0.2396
Echinococcus granulosus fibropellin Ia 0.0017 0.2396 0.2396
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.3584 0.5
Brugia malayi GCC2 and GCC3 family protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0017 0.2396 0.2396
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.3584 0.3584
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.3584 1
Echinococcus granulosus peroxidasin 0.0053 1 1
Onchocerca volvulus Peroxidase homolog 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Onchocerca volvulus Slit protein homolog 0.0017 0.2427 0.2427
Brugia malayi hypothetical protein 0.0053 0.9969 0.9969
Echinococcus granulosus delta-like protein 1 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) blistered cuticle protein 3 0.0053 0.9969 0.9969
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.9969 0.9969
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.3584 0.5
Brugia malayi Muscle positioning protein 4 0.0017 0.2396 0.2396
Brugia malayi notch-like transmembrane receptor 0.0017 0.2396 0.2396
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Schistosoma mansoni peroxidasin 0.0053 1 1
Loa Loa (eye worm) notch protein 0.0017 0.2396 0.2396
Echinococcus multilocularis notch 0.0017 0.2396 0.2396
Schistosoma mansoni hypothetical protein 0.0017 0.2396 0.2396
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.3584 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Schistosoma mansoni laminin gamma-3 chain 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Brugia malayi Animal haem peroxidase family protein 0.0053 0.9969 0.9969
Toxoplasma gondii exonuclease III APE 0.0023 0.3584 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Onchocerca volvulus 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Brugia malayi Cadherin domain containing protein 0.0017 0.2396 0.2396
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.3584 0.3584
Onchocerca volvulus Neurogenic locus notch homolog 0.0017 0.2396 0.2396
Schistosoma mansoni slit 0.0017 0.2427 0.2427
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Brugia malayi EGF-like domain containing protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Onchocerca volvulus Chorion peroxidase homolog 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Brugia malayi Calcium binding EGF domain containing protein 0.0017 0.2396 0.2396
Brugia malayi EGF-like domain containing protein 0.0017 0.2396 0.2396
Brugia malayi Calcium binding EGF domain containing protein 0.0017 0.2396 0.2396
Schistosoma mansoni ap endonuclease 0.0023 0.3584 0.3584
Schistosoma mansoni ap endonuclease 0.0023 0.3584 0.3584
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.3584 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Echinococcus multilocularis protein jagged 1 0.0017 0.2396 0.2396
Schistosoma mansoni notch 0.0017 0.2396 0.2396
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Echinococcus granulosus neurogenic locus protein delta 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 1 1
Onchocerca volvulus 0.0017 0.2396 0.2396
Loa Loa (eye worm) hypothetical protein 0.0053 0.9969 0.9969
Loa Loa (eye worm) hypothetical protein 0.0017 0.2396 0.2396
Onchocerca volvulus Putative cubilin 0.0017 0.2396 0.2396

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5323 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.