Detailed information for compound 792209

Basic information

Technical information
  • TDR Targets ID: 792209
  • Name: N-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-c]qui noxalin-4-amine
  • MW: 291.307 | Formula: C16H13N5O
  • H donors: 1 H acceptors: 3 LogP: 3.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Nc1nc2ccccc2n2c1nnc2
  • InChi: 1S/C16H13N5O/c1-22-12-6-4-5-11(9-12)18-15-16-20-17-10-21(16)14-8-3-2-7-13(14)19-15/h2-10H,1H3,(H,18,19)
  • InChiKey: HGRVAWPRLMDUTN-UHFFFAOYSA-N  

Network

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Synonyms

  • (3-methoxyphenyl)-([1,2,4]triazolo[3,4-c]quinoxalin-4-yl)amine
  • MLS000522410
  • SMR000127677

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.0043 0.074 0.5049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.074 0.1765
Echinococcus granulosus tar DNA binding protein 0.0076 0.2045 0.4878
Schistosoma mansoni hypothetical protein 0.0105 0.3163 0.7547
Trichomonas vaginalis esterase, putative 0.0043 0.074 0.91
Plasmodium falciparum glutathione reductase 0.0131 0.4191 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1401 0.186
Mycobacterium tuberculosis Conserved protein 0.0043 0.074 0.008
Toxoplasma gondii ABC1 family protein 0.0043 0.074 0.1765
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.074 0.1765
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0042 0.0665 0.1587
Mycobacterium ulcerans lipase LipD 0.0043 0.074 0.5049
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.074 0.91
Brugia malayi beta-lactamase family protein 0.0043 0.074 0.0982
Brugia malayi Nuclear hormone receptor-like 1 0.0215 0.7531 1
Brugia malayi Thioredoxin reductase 0.0131 0.4191 0.5565
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2045 0.2833
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0045 0.0813 0.1939
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0045 0.0813 0.1939
Mycobacterium tuberculosis Conserved protein 0.0043 0.074 0.008
Echinococcus multilocularis lysosomal alpha glucosidase 0.0112 0.3432 0.8189
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.074 0.008
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2045 0.4878
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.074 0.5049
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0541 0.1292
Loa Loa (eye worm) hypothetical protein 0.0043 0.074 0.1025
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.074 0.91
Schistosoma mansoni aldehyde dehydrogenase 0.0042 0.0665 0.1587
Schistosoma mansoni aldehyde dehydrogenase 0.0042 0.0665 0.1587
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0045 0.0813 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0045 0.0813 0.1939
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0045 0.0813 0.1939
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.074 0.91
Brugia malayi TAR-binding protein 0.0076 0.2045 0.2715
Trypanosoma brucei trypanothione reductase 0.0131 0.4191 1
Schistosoma mansoni alpha-glucosidase 0.0096 0.2818 0.6723
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2045 0.2715
Loa Loa (eye worm) hypothetical protein 0.0206 0.718 0.9948
Echinococcus multilocularis thioredoxin glutathione reductase 0.0131 0.4191 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.074 0.5049
Mycobacterium tuberculosis Probable oxidoreductase 0.0045 0.0813 0.0158
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0045 0.0813 0.1939
Loa Loa (eye worm) beta-lactamase 0.0043 0.074 0.1025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0045 0.0813 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0045 0.0813 0.1939
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0105 0.3163 0.7547
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.074 0.0982
Loa Loa (eye worm) hypothetical protein 0.0043 0.074 0.1025
Brugia malayi jmjC domain containing protein 0.0038 0.0541 0.0719
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.074 0.1765
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2045 0.4878
Toxoplasma gondii thioredoxin reductase 0.0131 0.4191 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0045 0.0813 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.074 0.1765
Loa Loa (eye worm) hypothetical protein 0.0043 0.074 0.1025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0025 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.074 0.1765
Brugia malayi Nuclear hormone receptor-like 1 0.0207 0.7217 0.9583
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0045 0.0813 0.0158
Schistosoma mansoni thyroid hormone receptor 0.0122 0.3828 0.9134
Brugia malayi Glycosyl hydrolases family 31 protein 0.0112 0.3432 0.4557
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0813 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.074 0.008
Trypanosoma cruzi trypanothione reductase, putative 0.0131 0.4191 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0112 0.3432 0.4755
Plasmodium falciparum thioredoxin reductase 0.0131 0.4191 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0541 0.1292
Loa Loa (eye worm) hypothetical protein 0.0041 0.0648 0.0897
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0045 0.0813 0.1939
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Brugia malayi glutathione reductase 0.0131 0.4191 0.5565
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0045 0.0813 0.0158
Loa Loa (eye worm) hypothetical protein 0.006 0.1401 0.1941
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.074 0.008
Loa Loa (eye worm) hypothetical protein 0.0043 0.074 0.1025
Loa Loa (eye worm) hypothetical protein 0.0043 0.074 0.1025
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0038 0.0541 0.1292
Schistosoma mansoni alpha-glucosidase 0.0096 0.2818 0.6723
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.074 0.91
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.074 0.008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0541 0.1292
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0042 0.0665 0.1587
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.074 0.008
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.0813 0.1939
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.074 0.5049
Treponema pallidum NADH oxidase 0.0045 0.0813 0.5
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0045 0.0813 0.1939
Schistosoma mansoni hypothetical protein 0.0041 0.0648 0.1545
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.074 0.91
Loa Loa (eye worm) RNA binding protein 0.0076 0.2045 0.2833
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Leishmania major hypothetical protein, conserved 0.0043 0.074 0.1765
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2045 0.4878
Brugia malayi jmjC domain containing protein 0.0038 0.0541 0.0719
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.074 0.008
Toxoplasma gondii NADPH-glutathione reductase 0.0045 0.0813 0.1939
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0045 0.0813 1
Trichomonas vaginalis glutathione reductase, putative 0.0045 0.0813 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0045 0.0813 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.074 0.1765
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0045 0.0813 0.0212
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2045 0.4878
Loa Loa (eye worm) hypothetical protein 0.0043 0.074 0.1025
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0045 0.0813 0.1939
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2045 0.2833
Brugia malayi RNA binding protein 0.0076 0.2045 0.2715
Brugia malayi Nuclear hormone receptor-like 1 0.0207 0.7217 0.9583
Loa Loa (eye worm) glutathione reductase 0.0131 0.4191 0.5807
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0045 0.0813 0.1939
Leishmania major trypanothione reductase 0.0131 0.4191 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.074 0.1025
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0105 0.3163 0.7547
Brugia malayi beta-lactamase family protein 0.0043 0.074 0.0982
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0033 0.0337 0.0448
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0541 0.1292
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1401 0.1941
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0541 0.075
Echinococcus multilocularis lysosomal alpha glucosidase 0.0112 0.3432 0.8189
Echinococcus granulosus lysosomal alpha glucosidase 0.0112 0.3432 0.8189
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0045 0.0813 0.0212
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0033 0.0337 0.0448
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2045 0.4878
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.074 0.1765
Brugia malayi beta-lactamase 0.0043 0.074 0.0982
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Schistosoma mansoni thyroid hormone receptor 0.0122 0.3828 0.9134
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.074 0.008
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0042 0.0665 0.1587
Plasmodium vivax glutathione reductase, putative 0.0131 0.4191 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0025 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0045 0.0813 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2045 0.4878
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Echinococcus granulosus thioredoxin glutathione reductase 0.0131 0.4191 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0045 0.0813 0.1939
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0045 0.0813 1
Loa Loa (eye worm) thioredoxin reductase 0.0131 0.4191 0.5807
Echinococcus multilocularis thyroid hormone receptor alpha 0.0122 0.3828 0.9134
Giardia lamblia NADH oxidase lateral transfer candidate 0.0045 0.0813 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0207 0.7217 1
Schistosoma mansoni jumonji domain containing protein 0.0038 0.0541 0.1292
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1401 0.186
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0045 0.0813 0.1079
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0045 0.0813 0.0158
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0038 0.0541 0.1292
Onchocerca volvulus 0.0065 0.1572 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0648 0.086
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.074 0.008
Plasmodium vivax thioredoxin reductase, putative 0.0131 0.4191 1
Toxoplasma gondii aldehyde dehydrogenase 0.0042 0.0665 0.1587
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0131 0.4191 0.3777
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0045 0.0813 0.1939
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0045 0.0813 0.1939

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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