Detailed information for compound 722299

Basic information

Technical information
  • TDR Targets ID: 722299
  • Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl -1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-n itrophenyl)acetamide
  • MW: 453.514 | Formula: C22H23N5O4S
  • H donors: 1 H acceptors: 5 LogP: 4.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1Cc1ccc(cc1)OC
  • InChi: 1S/C22H23N5O4S/c1-4-11-26-20(12-16-6-9-18(31-3)10-7-16)24-25-22(26)32-14-21(28)23-19-13-17(27(29)30)8-5-15(19)2/h4-10,13H,1,11-12,14H2,2-3H3,(H,23,28)
  • InChiKey: OHVDHGTZLZGFEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide
  • 2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide
  • 2-[[4-allyl-5-(4-methoxybenzyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide
  • 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide
  • STK138347

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.004 0.1482 0.1547
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0612 0.0536
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0076 0.3079 1
Loa Loa (eye worm) MIR domain-containing protein 0.0076 0.3079 0.3404
Onchocerca volvulus 0.003 0.1038 0.0084
Loa Loa (eye worm) hypothetical protein 0.0069 0.278 0.3056
Plasmodium falciparum glycogen synthase kinase 3 0.0051 0.1973 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Brugia malayi Pre-SET motif family protein 0.0204 0.8755 1
Trichomonas vaginalis mannosyltransferase, putative 0.0042 0.1557 0.1557
Loa Loa (eye worm) hypothetical protein 0.0043 0.1635 0.1726
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.1038 0.3205
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0051 0.1973 0.8097
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1699 0.5405
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0754 0.0754
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0522 0.0522
Echinococcus granulosus cpg binding protein 0.0032 0.1115 0.3463
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0962 0.0943
Echinococcus multilocularis stromal cell derived factor 2 0.0076 0.3079 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1699 0.5405
Giardia lamblia Kinase, CMGC GSK 0.0051 0.1973 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Echinococcus granulosus zinc finger protein 0.0021 0.0637 0.187
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2347 1
Brugia malayi Pre-SET motif family protein 0.003 0.1038 0.0949
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Schistosoma mansoni cpg binding protein 0.0028 0.0962 0.2952
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2347 0.7563
Trichomonas vaginalis mannosyltransferase 1, putative 0.0042 0.1557 0.1557
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0522 0.0522
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.8755 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1973 0.1973
Brugia malayi Bromodomain containing protein 0.0037 0.1376 0.1346
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Loa Loa (eye worm) hypothetical protein 0.0076 0.3079 0.3404
Loa Loa (eye worm) hypothetical protein 0.0038 0.1379 0.1428
Trypanosoma brucei protein kinase, putative 0.0051 0.1973 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.1776 0.5662
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0051 0.1973 0.7142
Schistosoma mansoni zinc finger protein 0.0015 0.0381 0.1018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1038 0.3205
Schistosoma mansoni bromodomain containing protein 0.0063 0.2529 0.8167
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0151 0.0252
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2347 0.7563
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1699 0.5405
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Schistosoma mansoni cpg binding protein 0.0032 0.1115 0.3463
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1699 0.5405
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.2347 0.7563
Trichomonas vaginalis mannosyltransferase 1, putative 0.0042 0.1557 0.1557
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1699 0.5405
Echinococcus multilocularis cpg binding protein 0.0032 0.1115 0.3463
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0151 0.0252
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0457 0.1271
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0522 0.0522
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1776 0.5662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1699 0.5405
Giardia lamblia Kinase, CMGC GSK 0.0051 0.1973 0.5
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0076 0.3079 0.3343
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.1038 0.3205
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0963 0.2957
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1973 0.1973
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0483 0.0387
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0076 0.3079 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0522 0.0522
Schistosoma mansoni zinc finger protein 0.0021 0.0637 0.187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1699 0.1724
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1776 0.5662
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.2403 0.7749
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0754 0.0754
Schistosoma mansoni cpg binding protein 0.0032 0.1115 0.3463
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Brugia malayi MIR domain containing protein 0.0076 0.3079 0.3343
Brugia malayi CXXC zinc finger family protein 0.0028 0.0962 0.086
Brugia malayi PHD-finger family protein 0.0026 0.0868 0.075
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1699 0.1799
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.2347 0.7563
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.2347 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3079 0.3404
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.2224 0.9059
Loa Loa (eye worm) hypothetical protein 0.0046 0.1776 0.1889
Echinococcus granulosus ryanodine receptor 44f 0.0076 0.3079 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0051 0.1973 0.2118
Onchocerca volvulus 0.0076 0.3079 0.2343
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2347 1
Entamoeba histolytica MIR domain protein 0.0076 0.3079 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2347 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.1776 0.5662
Trichomonas vaginalis set domain proteins, putative 0.0232 1 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0051 0.1973 1
Schistosoma mansoni hypothetical protein 0.0015 0.0381 0.1018
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0457 0.1271
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0522 0.0522
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0051 0.1973 1
Brugia malayi intracellular kinase 0.0051 0.1973 0.2046
Onchocerca volvulus 0.0051 0.1973 0.1119
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0051 0.1973 0.6317
Echinococcus multilocularis zinc finger protein 0.0021 0.0637 0.187
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Trichomonas vaginalis mannosyltransferase 1, putative 0.0076 0.3079 0.3079
Echinococcus granulosus protein kinase shaggy 0.0051 0.1973 0.6317
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0765 0.2298
Schistosoma mansoni hypothetical protein 0.002 0.0612 0.1787
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0051 0.1973 0.6317
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1699 0.5405
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0522 0.0522
Trichomonas vaginalis mannosyltransferase 1, putative 0.0042 0.1557 0.1557
Schistosoma mansoni ryanodine receptor related 0.0076 0.3079 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3079 0.3404
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Brugia malayi cation channel family protein 0.0076 0.3079 0.3343
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0457 0.1271
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1274 0.3991
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0051 0.1973 0.6317
Mycobacterium leprae Conserved membrane protein 0.0042 0.1557 0.5
Trichomonas vaginalis mannosyltransferase 1, putative 0.0208 0.8922 0.8922
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.2347 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2374 0.7652
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.2347 1
Trichomonas vaginalis mannosyltransferase 1, putative 0.0208 0.8922 0.8922
Echinococcus granulosus stromal cell derived factor 2 0.0076 0.3079 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1557 0.1557
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2374 0.7652
Brugia malayi Bromodomain containing protein 0.0075 0.3036 0.3293
Trichomonas vaginalis mannosyltransferase 1, putative 0.0042 0.1557 0.1557
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0051 0.1973 0.2118
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0765 0.2298
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Echinococcus multilocularis protein kinase shaggy 0.0051 0.1973 0.6317
Trichomonas vaginalis mannosyltransferase 1, putative 0.0208 0.8922 0.8922
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Echinococcus multilocularis ryanodine receptor 44f 0.0076 0.3079 1
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8922 0.8922
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1274 0.3991
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0765 0.2298
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0457 0.1271

Activities

No activities found for this compound.

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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