Detailed information for compound 1385496

Basic information

Technical information
  • TDR Targets ID: 1385496
  • Name: N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phe nylpyridin-2-yl)cyclopropanecarbohydrazide
  • MW: 359.443 | Formula: C18H21N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1)NN(c1nc(cc(c1S(=O)(=O)C)C)c1ccccc1)C
  • InChi: 1S/C18H21N3O3S/c1-12-11-15(13-7-5-4-6-8-13)19-17(16(12)25(3,23)24)21(2)20-18(22)14-9-10-14/h4-8,11,14H,9-10H2,1-3H3,(H,20,22)
  • InChiKey: NLURTSVNDDUQMM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridyl)cyclopropanecarbohydrazide
  • N'-(3-mesyl-4-methyl-6-phenyl-2-pyridyl)-N'-methyl-cyclopropanecarbohydrazide
  • N'-methyl-N'-(4-methyl-3-methylsulfonyl-6-phenyl-pyridin-2-yl)cyclopropanecarbohydrazide
  • ZINC01404889
  • SMR000334952
  • MLS000696049
  • N'-methyl-N'-[4-methyl-3-(methylsulfonyl)-6-phenyl-2-pyridinyl]cyclopropanecarbohydrazide
  • 12M-302S
  • Bionet1_002880

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus lamin 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 ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis cytoplasmic 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
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
Onchocerca volvulus 0.0043 0.0186 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0186 0.0265
Toxoplasma gondii hypothetical protein 0.0462 0.3172 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0462 0.3172 0.532
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0186 0.0149
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0186 0.025
Brugia malayi beta-lactamase 0.0043 0.0186 0.0311
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.142 1 1
Schistosoma mansoni lamin 0.0033 0.0108 0.0071
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0186 0.0149
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0186 0.0351
Schistosoma mansoni hypothetical protein 0.0462 0.3172 0.3147
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0038 0.0063
Mycobacterium ulcerans lipase LipD 0.0043 0.0186 0.0149
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0108 0.0181
Mycobacterium ulcerans carbonic anhydrase 0.0614 0.4254 0.4232
Schistosoma mansoni carbonic anhydrase 0.0462 0.3172 0.3147
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0186 0.0265
Loa Loa (eye worm) hypothetical protein 0.0032 0.0104 0.0174
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0311
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0186 0.0265
Trichomonas vaginalis esterase, putative 0.0043 0.0186 0.0351
Leishmania major carbonic anhydrase-like protein 0.0854 0.5963 0.5948
Brugia malayi beta-lactamase family protein 0.0043 0.0186 0.0311
Schistosoma mansoni carbonic anhydrase-related 0.0462 0.3172 0.3147
Leishmania major carbonic anhydrase family protein, putative 0.142 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0038 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0311
Loa Loa (eye worm) carbonic anhydrase 3 0.0854 0.5963 1
Mycobacterium ulcerans carbonic anhydrase 0.142 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0311
Loa Loa (eye worm) beta-lactamase 0.0043 0.0186 0.0311
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0462 0.3172 0.532
Toxoplasma gondii ABC1 family protein 0.0043 0.0186 0.0472
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0462 0.3172 0.532
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0614 0.4254 0.755
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0462 0.3172 0.532
Loa Loa (eye worm) hypothetical protein 0.0462 0.3172 0.532
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1856 0.3256
Schistosoma mansoni intermediate filament proteins 0.0033 0.0108 0.0071
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0186 0.0149
Echinococcus multilocularis carbonic anhydrase II 0.0854 0.5963 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0854 0.5963 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0462 0.3172 0.532
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0854 0.5963 1
Echinococcus multilocularis carbonic anhydrase 0.0462 0.3172 0.529
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0108 0.0181
Loa Loa (eye worm) hypothetical protein 0.0462 0.3172 0.532
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0311
Onchocerca volvulus 0.0043 0.0186 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0854 0.5963 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0854 0.5963 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0186 0.0265
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0186 0.0351
Brugia malayi beta-lactamase family protein 0.0043 0.0186 0.0311
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0854 0.5963 0.5948
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0186 0.025
Echinococcus granulosus carbonic anhydrase II 0.0854 0.5963 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0186 0.0265
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0108 0.0181
Schistosoma mansoni carbonic anhydrase-related 0.0462 0.3172 0.3147
Echinococcus multilocularis lamin 0.0033 0.0108 0.0119
Echinococcus granulosus lamin 0.0033 0.0108 0.0119
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0038 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0038 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0186 0.0265
Brugia malayi intermediate filament protein 0.0033 0.0108 0.0181
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0311
Echinococcus granulosus carbonic anhydrase 0.0462 0.3172 0.529
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0854 0.5963 0.5948
Loa Loa (eye worm) hypothetical protein 0.0033 0.0108 0.0181
Leishmania major hypothetical protein, conserved 0.0043 0.0186 0.0149
Echinococcus multilocularis lamin dm0 0.0033 0.0108 0.0119
Echinococcus multilocularis carbonic anhydrase 0.0462 0.3172 0.529
Trichomonas vaginalis conserved hypothetical protein 0.0614 0.4254 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0186 0.0351
Loa Loa (eye worm) hypothetical protein 0.0462 0.3172 0.532
Trichomonas vaginalis conserved hypothetical protein 0.0614 0.4254 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0186 0.0149
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0311
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0186 0.0311
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0186 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0186 0.025
Mycobacterium ulcerans hypothetical protein 0.0043 0.0186 0.0149
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0186 0.0311
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0186 0.0265
Schistosoma mansoni carbonic anhydrase 0.142 1 1
Echinococcus multilocularis carbonic anhydrase 0.0462 0.3172 0.529
Trypanosoma brucei carbonic anhydrase-like protein 0.0854 0.5963 1
Onchocerca volvulus 0.0043 0.0186 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0108 0.0119
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0462 0.3172 0.532
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0186 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0854 0.5963 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0186 0.025
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0186 0.0351
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0806 0.5622 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0186 0.0265
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0038 0.0063
Plasmodium falciparum carbonic anhydrase 0.0462 0.3172 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0186 0.0351
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0186 0.0149
Schistosoma mansoni carbonic anhydrase-related 0.0462 0.3172 0.3147
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0186 0.0265
Echinococcus multilocularis musashi 0.0033 0.0108 0.0119
Schistosoma mansoni lamin 0.0033 0.0108 0.0071
Echinococcus granulosus lamin dm0 0.0033 0.0108 0.0119
Echinococcus granulosus carbonic anhydrase 0.0462 0.3172 0.529
Echinococcus granulosus carbonic anhydrase 0.0462 0.3172 0.529
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0186 0.0265

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7079 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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