Detailed information for compound 1322667

Basic information

Technical information
  • TDR Targets ID: 1322667
  • Name: N,N,5-trimethyl-1-(4-nitrophenyl)-1,2,4-triaz ole-3-carboxamide
  • MW: 275.263 | Formula: C12H13N5O3
  • H donors: 0 H acceptors: 5 LogP: 1.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1nc(n(n1)c1ccc(cc1)[N+](=O)[O-])C)C
  • InChi: 1S/C12H13N5O3/c1-8-13-11(12(18)15(2)3)14-16(8)9-4-6-10(7-5-9)17(19)20/h4-7H,1-3H3
  • InChiKey: MJFSHJHYKJYNTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC01397421
  • MLS000695162
  • N,N,5-trimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
  • SMR000333590
  • 1H-317S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum lysophospholipase, putative 0.0237 0.2384 1
Trichomonas vaginalis conserved hypothetical protein 0.0237 0.2384 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0237 0.2384 1
Mycobacterium ulcerans hypothetical protein 0.0237 0.2384 0.2281
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0133 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Echinococcus multilocularis musashi 0.0033 0.0182 0.0777
Plasmodium vivax PST-A protein 0.0237 0.2384 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0426 0.1331
Schistosoma mansoni amidase 0.0232 0.2339 1
Leishmania major monoglyceride lipase, putative 0.0237 0.2384 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0182 0.0222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0426 0.1824
Brugia malayi amidase 0.0232 0.2339 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0248 0.2509 1
Brugia malayi Amidase family protein 0.0028 0.0133 0.0493
Loa Loa (eye worm) hypothetical protein 0.0033 0.0182 0.0777
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0028 0.0133 0.0569
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0237 0.2384 0.5
Loa Loa (eye worm) amidase 0.0028 0.0133 0.0569
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0028 0.0133 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0232 0.2339 1
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0942 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0182 0.0777
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0019 0.008
Echinococcus granulosus lamin dm0 0.0033 0.0182 0.0777
Plasmodium falciparum esterase, putative 0.0237 0.2384 1
Mycobacterium ulcerans lysophospholipase 0.0237 0.2384 0.2281
Schistosoma mansoni lamin 0.0033 0.0182 0.0222
Brugia malayi putative amidase 0.0028 0.0133 0.0493
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0028 0.0133 0.0569
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0182 0.0777
Echinococcus multilocularis lamin 0.0033 0.0182 0.0777
Schistosoma mansoni lamin 0.0033 0.0182 0.0222
Plasmodium falciparum lysophospholipase, putative 0.0237 0.2384 1
Onchocerca volvulus 0.0033 0.0182 0.5
Plasmodium falciparum lysophospholipase, putative 0.0237 0.2384 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0232 0.2339 1
Echinococcus granulosus lamin 0.0033 0.0182 0.0777
Trypanosoma brucei monoglyceride lipase, putative 0.0237 0.2384 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0248 0.2509 0.2408
Echinococcus multilocularis lamin dm0 0.0033 0.0182 0.0777
Onchocerca volvulus 0.0033 0.0182 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0133 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0426 0.1824
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0426 0.1824
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0426 0.1824
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0182 0.0777
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0426 0.1824
Loa Loa (eye worm) hypothetical protein 0.0232 0.2339 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0232 0.2339 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1777 0.7598
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0237 0.2384 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0232 0.2339 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.075
Echinococcus multilocularis muscleblind protein 1 0.018 0.1777 0.7598
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0426 0.1331
Echinococcus granulosus muscleblind protein 0.018 0.1777 0.7598
Trichomonas vaginalis conserved hypothetical protein 0.0237 0.2384 0.5
Loa Loa (eye worm) amidase 0.0028 0.0133 0.0569
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0028 0.0133 0.0569
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0426 0.1758
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0237 0.2384 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0028 0.0133 0.0569
Brugia malayi Amidase family protein 0.0028 0.0133 0.0493
Loa Loa (eye worm) hypothetical protein 0.018 0.1777 0.7598
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0426 0.1331
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0182 0.0703
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0232 0.2339 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0237 0.2384 1
Brugia malayi Muscleblind-like protein 0.018 0.1777 0.7579
Echinococcus multilocularis muscleblind protein 0.018 0.1777 0.7598
Brugia malayi intermediate filament protein 0.0033 0.0182 0.0703
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0237 0.2384 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0224 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 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
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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.