Detailed information for compound 1353284

Basic information

Technical information
  • TDR Targets ID: 1353284
  • Name: 2-chloro-N'-(3-chlorophenyl)pyridine-3-carboh ydrazide
  • MW: 282.125 | Formula: C12H9Cl2N3O
  • H donors: 2 H acceptors: 2 LogP: 3.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NNC(=O)c1cccnc1Cl
  • InChi: 1S/C12H9Cl2N3O/c13-8-3-1-4-9(7-8)16-17-12(18)10-5-2-6-15-11(10)14/h1-7,16H,(H,17,18)
  • InChiKey: ZRJBRTSDQJUITB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N'-(3-chlorophenyl)-3-pyridinecarbohydrazide
  • 2-chloro-N'-(3-chlorophenyl)nicotinohydrazide
  • MLS000705834
  • SMR000226642
  • ZINC00984124
  • AI-204/31720002

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0616 0.0131
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0894 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0817 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.4374 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0817 0.8426
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0817 0.8426
Brugia malayi Pre-SET motif family protein 0.0036 0.0616 0.0708
Leishmania major hypothetical protein, conserved 0.0043 0.0894 1
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0894 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0894 0.5
Schistosoma mansoni tar DNA-binding protein 0.0136 0.4374 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0894 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0894 0.059
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0817 0.0497
Loa Loa (eye worm) hypothetical protein 0.0036 0.0616 0.0254
Entamoeba histolytica hypothetical protein 0.0043 0.0893 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0807 0.0928
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0894 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0894 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0894 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0894 0.059
Echinococcus granulosus tar DNA binding protein 0.0136 0.4374 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0817 0.8426
Loa Loa (eye worm) hypothetical protein 0.0043 0.0894 0.059
Mycobacterium leprae Probable lipase LipE 0.0043 0.0894 0.5
Echinococcus multilocularis tar DNA binding protein 0.0136 0.4374 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0894 0.1028
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0894 0.0742
Loa Loa (eye worm) RNA binding protein 0.0136 0.4374 0.4787
Brugia malayi Augmenter of liver regeneration 0.0041 0.0817 0.094
Brugia malayi beta-lactamase family protein 0.0043 0.0894 0.1028
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8697 1
Entamoeba histolytica hypothetical protein 0.0043 0.0893 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0893 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1522 0.1347
Schistosoma mansoni tar DNA-binding protein 0.0136 0.4374 1
Brugia malayi beta-lactamase family protein 0.0043 0.0894 0.1028
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0817 0.8426
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.4374 0.503
Schistosoma mansoni hypothetical protein 0.0041 0.0807 0.051
Loa Loa (eye worm) hypothetical protein 0.0043 0.0894 0.059
Leishmania major hypothetical protein, conserved 0.0041 0.0817 0.8426
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0894 0.0742
Brugia malayi TAR-binding protein 0.0136 0.4374 0.503
Entamoeba histolytica hypothetical protein 0.0043 0.0893 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0893 0.0739
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1522 0.175
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0817 0.8426
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1522 0.1347
Mycobacterium ulcerans hypothetical protein 0.0043 0.0894 0.5
Brugia malayi hypothetical protein 0.003 0.0405 0.0466
Plasmodium vivax SET domain protein, putative 0.0036 0.0616 0.4302
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1522 0.175
Onchocerca volvulus 0.0043 0.0894 0.0297
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0894 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.4374 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0616 0.4302
Onchocerca volvulus 0.0043 0.0894 0.0297
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0817 0.8426
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0817 0.8426
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0817 0.0661
Loa Loa (eye worm) hypothetical protein 0.0043 0.0894 0.059
Schistosoma mansoni hypothetical protein 0.0043 0.0893 0.0739
Brugia malayi RNA binding protein 0.0136 0.4374 0.503
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0893 0.086
Brugia malayi hypothetical protein 0.0043 0.0893 0.1027
Mycobacterium ulcerans lipase LipD 0.0043 0.0894 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0807 0.0485
Loa Loa (eye worm) beta-lactamase 0.0043 0.0894 0.059
Schistosoma mansoni tar DNA-binding protein 0.0136 0.4374 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.969 1
Loa Loa (eye worm) TAR-binding protein 0.0136 0.4374 0.4787
Loa Loa (eye worm) hypothetical protein 0.0043 0.0894 0.059
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0894 0.0742
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0893 0.0739
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0817 0.0537
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0894 0.0863
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0894 0.059
Brugia malayi Pre-SET motif family protein 0.0251 0.8697 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.4374 0.4787
Onchocerca volvulus 0.0043 0.0894 0.0297
Brugia malayi beta-lactamase 0.0043 0.0894 0.1028
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0894 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 4.137 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) 10 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) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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 (functional) 100 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

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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