Detailed information for compound 1349224

Basic information

Technical information
  • TDR Targets ID: 1349224
  • Name: 4-methyl-N-(2H-1,2,4-triazol-3-yl)benzamide
  • MW: 202.213 | Formula: C10H10N4O
  • H donors: 2 H acceptors: 3 LogP: 1.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)Nc1n[nH]cn1
  • InChi: 1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15)
  • InChiKey: QJNGEUXMEXYZNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
  • BIM-0029458.P001
  • CBMicro_029689
  • MLS001164388
  • SMR000496588
  • ZINC00437147

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 jumonji/arid domain-containing protein 0.0043 0.2696 0.1313
Brugia malayi jmjC domain containing protein 0.0043 0.2696 0.2696
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.2696 0.0925
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4588 0.4653
Brugia malayi Bromodomain containing protein 0.0035 0.1951 0.1951
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4588 0.4653
Plasmodium falciparum phd finger protein, putative 0.0035 0.1951 1
Brugia malayi RNA binding protein 0.0061 0.4588 0.4588
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4588 0.4653
Loa Loa (eye worm) TAR-binding protein 0.0061 0.4588 0.7669
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5718 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1951 1
Echinococcus granulosus tar DNA binding protein 0.0061 0.4588 0.3276
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1951 0.2229
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.4588 0.7669
Echinococcus multilocularis tar DNA binding protein 0.0061 0.4588 0.3276
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1951 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4588 0.4653
Loa Loa (eye worm) hypothetical protein 0.006 0.4479 0.7443
Brugia malayi PHD-finger family protein 0.0035 0.1951 0.1951
Brugia malayi TAR-binding protein 0.0061 0.4588 0.4588
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1951 1
Onchocerca volvulus Alhambra homolog 0.0035 0.1951 0.5
Leishmania major hypothetical protein, conserved 0.0024 0.0871 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.2696 0.3765
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.2696 0.1313
Echinococcus granulosus jumonji domain containing protein 0.0049 0.3337 0.1721
Loa Loa (eye worm) hypothetical protein 0.0035 0.1951 0.2229
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0871 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.2696 0.0925
Brugia malayi hypothetical protein 0.0024 0.0871 0.0871
Loa Loa (eye worm) RNA binding protein 0.0061 0.4588 0.7669
Giardia lamblia PHD finger protein 15 0.0035 0.1951 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.4588 0.4588
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0871 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.3337 0.1721
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0871 0.5
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7619 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.4588 0.4653

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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