Detailed information for compound 1435630

Basic information

Technical information
  • TDR Targets ID: 1435630
  • Name: 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)thiop hene-3-carboxamide
  • MW: 284.336 | Formula: C14H12N4OS
  • H donors: 1 H acceptors: 3 LogP: 2.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1csc(c1c1ccccc1)C)Nn1cnnc1
  • InChi: 1S/C14H12N4OS/c1-10-13(11-5-3-2-4-6-11)12(7-20-10)14(19)17-18-8-15-16-9-18/h2-9H,1H3,(H,17,19)
  • InChiKey: FVNXHIWCRLAEGR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-4-phenyl-N-(1,2,4-triazol-4-yl)-3-thiophenecarboxamide
  • SMR000080538
  • SDCCGMLS-0023943.P002
  • 5-methyl-4-phenyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
  • MLS000051714
  • ZINC01054921
  • IVK/4005635

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Plasmodium falciparum M18 aspartyl aminopeptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Theileria parva aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania infantum aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus granulosus aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium vivax M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium falciparum M18 aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma congolense aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi Aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium parvum possible aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium berghei M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania donovani aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Babesia bovis aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K01267 aspartyl aminopeptidase [EC3.4.11.21], putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium tuberculosis Probable aminopeptidase PepC Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei gambiense aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus multilocularis aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania mexicana aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium knowlesi M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania braziliensis aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020

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
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0087 1 0.5
Trichomonas vaginalis hypothetical protein 0.0041 0.4424 0.4415
Echinococcus multilocularis cpg binding protein 0.0037 0.3942 0.3591
Loa Loa (eye worm) hypothetical protein 0.0087 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.8409 0.8409
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0456 0.0441
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0456 0.0441
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0087 1 0.5
Echinococcus multilocularis aspartyl aminopeptidase 0.0087 1 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 1 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0087 1 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0456 0.0441
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0456 0.0441
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.4424 0.4415
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0456 0.0441
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.4424 0.4415
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0804 0.0271
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.4424 0.4415
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0087 1 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.3703 0.3165
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0804 0.0271
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0456 0.0441
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.3703 0.3153
Echinococcus granulosus aspartyl aminopeptidase 0.0087 1 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Trichomonas vaginalis helicase, putative 0.0008 0.0456 0.0441
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 1 0.5
Entamoeba histolytica aminopeptidase, putative 0.0087 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.7458 0.5
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.3703 0.3703
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0456 0.0441
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0456 0.0441
Echinococcus granulosus cpg binding protein 0.0037 0.3942 0.3591
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0087 1 1
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0087 1 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.3942 0.3942
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0107 0.0107
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0087 1 0.5
Loa Loa (eye worm) aspartyl aminopeptidase 0.0087 1 1
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0087 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.4424 0.4415
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0456 0.0441
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.4424 0.4415
Onchocerca volvulus 0.0035 0.3703 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.3942 0.3942
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0548 0.0548
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.4424 0.4415

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.127 um PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 2170 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
IC50 (binding) > 59.642 um PUBCHEM_BIOASSAY: QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). (Class of assay: confirmatory) [Related pubchem assays: 2178 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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