Detailed information for compound 1351426

Basic information

Technical information
  • TDR Targets ID: 1351426
  • Name: 2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)- 4-(1,2,4-triazol-4-yl)benzamide
  • MW: 418.277 | Formula: C19H17Cl2N5O2
  • H donors: 1 H acceptors: 3 LogP: 2.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(ccc1N1CCOCC1)NC(=O)c1ccc(cc1Cl)n1cnnc1
  • InChi: 1S/C19H17Cl2N5O2/c20-16-10-14(26-11-22-23-12-26)2-3-15(16)19(27)24-13-1-4-18(17(21)9-13)25-5-7-28-8-6-25/h1-4,9-12H,5-8H2,(H,24,27)
  • InChiKey: FVLDRNAZMAGEMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-(3-chloro-4-morpholino-phenyl)-4-(1,2,4-triazol-4-yl)benzamide
  • 2-chloro-N-(3-chloro-4-morpholinophenyl)-4-(1,2,4-triazol-4-yl)benzamide
  • 2-chloro-N-(3-chloro-4-morpholin-4-yl-phenyl)-4-(1,2,4-triazol-4-yl)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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 chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pyruvate kinase 0.004 0.2175 0.2175
Loa Loa (eye worm) heterochromatin protein 1 0.0084 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.2175 0.1358
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8637 0.8258
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.2175 0.5
Loa Loa (eye worm) pyruvate kinase 0.004 0.2175 0.2175
Loa Loa (eye worm) TAR-binding protein 0.0076 0.8637 0.8637
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.2175 0.5
Chlamydia trachomatis pyruvate kinase 0.004 0.2175 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4041 0.3419
Echinococcus multilocularis tar DNA binding protein 0.0076 0.8637 0.8541
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.2175 0.5
Trypanosoma brucei pyruvate kinase 1 0.004 0.2175 0.5
Entamoeba histolytica pyruvate kinase, putative 0.0028 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.233 0.0198
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.3402 0.7399
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.8637 0.8258
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8637 0.8258
Schistosoma mansoni chromobox protein 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.5729 0.5729
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5729 0.4542
Plasmodium falciparum pyruvate kinase 0.004 0.2175 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1584 0.1584
Plasmodium vivax pyruvate kinase, putative 0.004 0.2175 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.2175 0.2404
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Leishmania major pyruvate kinase 0.004 0.2175 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.8637 0.8637
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.2175 0.2404
Brugia malayi TAR-binding protein 0.0076 0.8637 0.8258
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5729 0.5729
Loa Loa (eye worm) hypothetical protein 0.004 0.2175 0.2175
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3402 0.2714
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8637 0.8258
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Echinococcus multilocularis pyruvate kinase 0.004 0.2175 0.1622
Loa Loa (eye worm) pyruvate kinase 0.004 0.2175 0.2175
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.8637 0.8637
Loa Loa (eye worm) hypothetical protein 0.0047 0.3402 0.3402
Brugia malayi RNA binding protein 0.0076 0.8637 0.8258
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8637 0.8258
Brugia malayi chromobox protein homolog 3 0.0047 0.3402 0.1569
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.2175 0.1358
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.2175 0.2404
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.2175 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.4041 1
Schistosoma mansoni chromobox protein 0.0084 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.8637 0.8258
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4041 0.3419
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3402 0.2714
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.2175 0.5
Mycobacterium ulcerans pyruvate kinase 0.004 0.2175 0.5
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.2175 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.233 0.0198
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8637 0.8258
Echinococcus multilocularis pyruvate kinase 0.004 0.2175 0.1622
Giardia lamblia Pyruvate kinase 0.004 0.2175 0.5
Leishmania major pyruvate kinase 0.004 0.2175 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.5729 0.4542
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.233 0.233

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 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) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

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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