Detailed information for compound 1224640

Basic information

Technical information
  • TDR Targets ID: 1224640
  • Name: 2-methoxy-N'-(2-nitrophenyl)sulfonylacetohydr azide
  • MW: 289.265 | Formula: C9H11N3O6S
  • H donors: 2 H acceptors: 5 LogP: 0.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C9H11N3O6S/c1-18-6-9(13)10-11-19(16,17)8-5-3-2-4-7(8)12(14)15/h2-5,11H,6H2,1H3,(H,10,13)
  • InChiKey: KIHMYYMGUAHKNC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methoxy-N'-(2-nitrophenyl)sulfonyl-acetohydrazide
  • 2-methoxy-N'-(2-nitrophenyl)sulfonyl-ethanehydrazide
  • ZINC02064426
  • AG-690/15431267
  • BAS 01926567
  • MLS000553450
  • SMR000172033

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0567 0.0567
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 1
Schistosoma mansoni hypothetical protein 0.0033 0.0279 0.073
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.1902 0.2178
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.1902 0.498
Brugia malayi jmjC domain containing protein 0.0093 0.1568 0.1796
Schistosoma mansoni hypothetical protein 0.0045 0.0531 0.139
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0079 0.0207
Brugia malayi RNA binding protein 0.0198 0.3819 0.4373
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1176 1
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.1176 0.7832
Echinococcus granulosus Protein patched homolog 1 0.0047 0.0567 0.1485
Echinococcus multilocularis Niemann Pick C1 protein 0.0155 0.2906 0.7608
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0231 0.0418
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0478 0.9864 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0079 0.1269 0.3322
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1176 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.1176 0.1192
Onchocerca volvulus 0.0075 0.1176 0.1018
Loa Loa (eye worm) hypothetical protein 0.0028 0.0176 0.0201
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0348 0.0911
Schistosoma mansoni hypothetical protein 0.0182 0.3482 0.9117
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.061 0.0699
Mycobacterium tuberculosis Conserved protein 0.0075 0.1176 0.1192
Echinococcus multilocularis protein patched 0.0047 0.0567 0.1485
Trichomonas vaginalis set domain proteins, putative 0.0484 1 1
Echinococcus granulosus peregrin 0.0031 0.023 0.0601
Brugia malayi beta-lactamase 0.0075 0.1176 0.1346
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0929 0.2432
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0426 0.8733 1
Brugia malayi Pre-SET motif family protein 0.0061 0.0879 0.1006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.1501 1
Mycobacterium leprae conserved hypothetical protein 0.0075 0.1176 0.7438
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.083 0.2174
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.061 0.0699
Echinococcus multilocularis zinc finger protein 0.0021 0.0011 0.0029
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0059 0.0833 0.0845
Loa Loa (eye worm) hypothetical protein 0.0079 0.1269 0.1453
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0348 0.0398
Loa Loa (eye worm) hypothetical protein 0.0075 0.1176 0.1346
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.1652 0.1892
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.1176 0.1192
Echinococcus multilocularis tar DNA binding protein 0.0198 0.3819 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.3819 1
Plasmodium vivax hypothetical protein, conserved 0.0075 0.1176 0.7545
Echinococcus multilocularis geminin 0.0182 0.3482 0.9117
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0827 0.0947
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.0567 0.0649
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.1176 0.3078
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0231 0.0418
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0198 0.3819 0.4373
Echinococcus multilocularis peregrin 0.0031 0.023 0.0601
Onchocerca volvulus 0.0061 0.0879 0.0716
Schistosoma mansoni peptidase Clp (S14 family) 0.009 0.1501 0.393
Schistosoma mansoni bromodomain containing protein 0.0067 0.1011 0.2646
Schistosoma mansoni tar DNA-binding protein 0.0198 0.3819 1
Loa Loa (eye worm) hypothetical protein 0.009 0.1501 0.1719
Loa Loa (eye worm) beta-lactamase 0.0075 0.1176 0.1346
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.061 0.0699
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0279 0.0319
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1176 0.1176
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1652 0.4326
Brugia malayi Bromodomain containing protein 0.008 0.1279 0.1464
Schistosoma mansoni hypothetical protein 0.0028 0.0176 0.046
Loa Loa (eye worm) hypothetical protein 0.0043 0.0495 0.0567
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0176 0.046
Toxoplasma gondii ABC1 family protein 0.0075 0.1176 0.7545
Brugia malayi Bromodomain containing protein 0.0041 0.0439 0.0503
Echinococcus multilocularis expressed conserved protein 0.0102 0.176 0.4609
Schistosoma mansoni hypothetical protein 0.0045 0.0531 0.139
Echinococcus multilocularis protein dispatched 1 0.0053 0.0709 0.1856
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1176 0.1176
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0385 0.1009
Giardia lamblia PHD finger protein 15 0.0028 0.0176 1
Schistosoma mansoni hypothetical protein 0.0182 0.3482 0.9117
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1156 0.3027
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1176 0.1176
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1176 0.3078
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.1176 0.7832
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0035 0.004
Echinococcus multilocularis peptidase Clp (S14 family) 0.0059 0.0833 0.2182
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0385 0.1009
Loa Loa (eye worm) hypothetical protein 0.0075 0.1176 0.1346
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 1
Mycobacterium leprae Probable lipase LipE 0.0075 0.1176 0.7438
Loa Loa (eye worm) hypothetical protein 0.0075 0.1176 0.1346
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.1176 0.1192
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1652 0.4326
Loa Loa (eye worm) RNA binding protein 0.0198 0.3819 0.4373
Onchocerca volvulus 0.0075 0.1176 0.1018
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0079 0.0207
Brugia malayi RNA recognition motif domain containing protein 0.0198 0.3819 0.4373
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.009 0.1501 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0176 0.046
Mycobacterium ulcerans beta-lactamase 0.0075 0.1176 0.7832
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0702
Trichomonas vaginalis esterase, putative 0.0075 0.1176 0.1176
Toxoplasma gondii hypothetical protein 0.0031 0.0231 0.0418
Echinococcus granulosus geminin 0.0182 0.3482 0.9117
Mycobacterium tuberculosis Conserved protein 0.0075 0.1176 0.1192
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1652 0.4326
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0348 0.0911
Schistosoma mansoni patched 1 0.0047 0.0567 0.1485
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0929 0.2432
Schistosoma mansoni tar DNA-binding protein 0.0198 0.3819 1
Echinococcus granulosus zinc finger protein 0.0021 0.0011 0.0029
Brugia malayi Probable ClpP-like protease 0.009 0.1501 0.1719
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0059 0.0833 0.0845
Brugia malayi beta-lactamase family protein 0.0075 0.1176 0.1346
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.1652 0.1892
Schistosoma mansoni tar DNA-binding protein 0.0198 0.3819 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0879 0.2301
Loa Loa (eye worm) hypothetical protein 0.0075 0.1176 0.1346
Loa Loa (eye worm) hypothetical protein 0.0033 0.0279 0.0319
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.1902 1
Echinococcus granulosus expressed conserved protein 0.0102 0.176 0.4609
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0079 0.1269 0.3322
Leishmania major hypothetical protein, conserved 0.0075 0.1176 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.1902 0.498
Loa Loa (eye worm) hypothetical protein 0.0047 0.0567 0.0649
Echinococcus granulosus tar DNA binding protein 0.0198 0.3819 1
Mycobacterium ulcerans lipase LipD 0.0075 0.1176 0.7832
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0415 0.1087
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.1176 0.1192
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0059 0.0833 0.4744
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.1176 0.1346
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1568 0.4106
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.1176 0.1192
Loa Loa (eye worm) hypothetical protein 0.0049 0.061 0.0699
Brugia malayi beta-lactamase family protein 0.0075 0.1176 0.1346
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0879 0.2301
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0304 0.0797
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1652 0.4326
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.009 0.1501 0.393
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0176 0.0201
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.1176 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0879 0.5305
Loa Loa (eye worm) hypothetical protein 0.0109 0.1902 0.2178
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1176 0.1176
Schistosoma mansoni hypothetical protein 0.0045 0.0531 0.139
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.1176 0.3078
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.1176 0.1192
Loa Loa (eye worm) hypothetical protein 0.0057 0.0793 0.0908
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 1
Mycobacterium ulcerans hypothetical protein 0.0075 0.1176 0.7832
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1568 0.4106
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0879 0.2301
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0079 0.1269 0.3322
Brugia malayi PHD-finger family protein 0.0028 0.0176 0.0201
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.009 0.1501 1
Onchocerca volvulus 0.0075 0.1176 0.1018
Brugia malayi PHD-finger family protein 0.0026 0.0133 0.0152
Schistosoma mansoni niemann-pick C1 (NPC1) 0.011 0.1938 0.5075
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.1176 0.1192
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.0567 0.1485
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.0567 0.1485
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1176 0.3078
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 0.5
Schistosoma mansoni tar DNA-binding protein 0.0198 0.3819 1
Schistosoma mansoni hypothetical protein 0.0045 0.0531 0.139
Schistosoma mansoni zinc finger protein 0.0021 0.0011 0.0029
Loa Loa (eye worm) hypothetical protein 0.0041 0.0441 0.0505
Schistosoma mansoni hypothetical protein 0.0022 0.0035 0.0092
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0176 0.046
Loa Loa (eye worm) TAR-binding protein 0.0198 0.3819 0.4373
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.1176 0.1346
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1176 0.1176
Echinococcus granulosus jumonji domain containing protein 0.004 0.0415 0.1087
Brugia malayi Pre-SET motif family protein 0.0426 0.8733 1
Echinococcus granulosus Niemann Pick C1 protein 0.0155 0.2906 0.7608
Plasmodium vivax SET domain protein, putative 0.0061 0.0879 0.5305
Loa Loa (eye worm) hypothetical protein 0.0075 0.1176 0.1346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1652 0.4326
Brugia malayi Bromodomain containing protein 0.0031 0.023 0.0263
Loa Loa (eye worm) hypothetical protein 0.0075 0.1176 0.1346
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0079 0.0207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1652 0.4326
Echinococcus granulosus histone lysine methyltransferase setb 0.0079 0.1269 0.3322
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.009 0.1501 1
Brugia malayi CHE-14 protein 0.0047 0.0567 0.0649
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1652 0.4326
Brugia malayi TAR-binding protein 0.0198 0.3819 0.4373
Loa Loa (eye worm) hypothetical protein 0.0045 0.0539 0.0617
Echinococcus granulosus peptidase Clp S14 family 0.0059 0.0833 0.2182
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.1176 0.1192
Brugia malayi jmjC domain containing protein 0.0036 0.0348 0.0398
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.009 0.1501 0.393
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0348 0.0911
Loa Loa (eye worm) hypothetical protein 0.0075 0.1181 0.1352
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.009 0.1501 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) 17.7828 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

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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