Detailed information for compound 1538750

Basic information

Technical information
  • TDR Targets ID: 1538750
  • Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl) sulfanyl]-N-(2-ethoxyphenyl)acetamide
  • MW: 346.447 | Formula: C17H22N4O2S
  • H donors: 1 H acceptors: 3 LogP: 2.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)CSc1nnc(n1CC)C1CC1
  • InChi: 1S/C17H22N4O2S/c1-3-21-16(12-9-10-12)19-20-17(21)24-11-15(22)18-13-7-5-6-8-14(13)23-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,22)
  • InChiKey: MIEIVYLTUBQCMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-ethoxyphenyl)acetamide
  • 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)ethanamide
  • ASN 05988790
  • ZINC00410413

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
Brugia malayi nuclear receptor RXR 0.0019 0.005 0.0059
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.2012 0.2398
Schistosoma mansoni hypothetical protein 0.0069 0.1957 0.3458
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0687 0.1214
Mycobacterium tuberculosis Probable reductase 0.0116 0.3709 0.8159
Brugia malayi hypothetical protein 0.0019 0.005 0.0059
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.005 0.0088
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.3709 0.8159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0687 0.1214
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.4197 0.9233
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.2012 0.3555
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.2012 0.3555
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0687 0.0819
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0687 0.0819
Onchocerca volvulus 0.0067 0.1868 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Schistosoma mansoni hypothetical protein 0.0167 0.5659 1
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.1253 0.1442
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0687 0.0819
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.4197 0.9233
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.2012 0.1431
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0687 0.0819
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Schistosoma mansoni hypothetical protein 0.0122 0.3929 0.6943
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.1253 0.2214
Loa Loa (eye worm) hypothetical protein 0.0083 0.2473 0.2905
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.1253 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.1253 0.2214
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.2012 1
Schistosoma mansoni hypothetical protein 0.0167 0.5659 1
Treponema pallidum fructose-bisphosphate aldolase 0.0282 1 1
Schistosoma mansoni jun-related protein 0.0069 0.1957 0.3458
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0687 0.0764
Schistosoma mansoni coup transcription factor 0.0036 0.0687 0.1214
Schistosoma mansoni lamin 0.0028 0.0381 0.0674
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0687 0.1214
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0687 0.0819
Echinococcus multilocularis thyroid hormone receptor alpha 0.0157 0.528 0.9331
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Echinococcus multilocularis jun protein 0.0085 0.2561 0.4526
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.005 0.0059
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Brugia malayi Thioredoxin reductase 0.0051 0.1253 0.1493
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0687 0.0819
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0119 0.3827 0.6763
Echinococcus granulosus lamin dm0 0.0028 0.0381 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0687 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0687 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0687 0.0819
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0687 0.1214
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0687 0.1214
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0687 0.2056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0687 0.0764
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0687 0.2056
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Schistosoma mansoni thyroid hormone receptor 0.0157 0.528 0.9331
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0687 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0687 0.0819
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0687 0.1214
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.3709 0.8159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0687 0.1214
Brugia malayi ecdysteroid receptor 0.0036 0.0687 0.0819
Brugia malayi glutathione reductase 0.0051 0.1253 0.1493
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0687 0.1214
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0381 0.0398
Echinococcus granulosus lamin 0.0028 0.0381 0.0674
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.1253 0.2756
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0687 0.1214
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0687 0.1214
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.005 0.0088
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.4197 0.5833
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Echinococcus multilocularis geminin 0.0167 0.5659 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3791 0.4485
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.2561 0.4526
Brugia malayi MH2 domain containing protein 0.0118 0.3791 0.4518
Echinococcus multilocularis lamin dm0 0.0028 0.0381 0.0674
Leishmania major trypanothione reductase 0.0051 0.1253 0.6226
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0687 0.1214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0687 0.0764
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.839 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.4197 0.9233
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0687 0.1214
Brugia malayi hypothetical protein 0.0067 0.1868 0.2227
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0687 0.1214
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0687 0.0819
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0687 0.2056
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.3709 0.8159
Loa Loa (eye worm) hypothetical protein 0.0028 0.0381 0.0398
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0678 0.1199
Trypanosoma brucei trypanothione reductase 0.0051 0.1253 0.6226
Brugia malayi steroid hormone receptor 0.0036 0.0687 0.0819
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.2012 1
Schistosoma mansoni thyroid hormone receptor 0.0157 0.528 0.9331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0687 0.0764
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0687 0.1214
Schistosoma mansoni retinoic acid receptor RXR 0.0138 0.4541 0.8024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0687 0.0764
Loa Loa (eye worm) hypothetical protein 0.0027 0.0362 0.0375
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0687 0.1214
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0678 0.1199
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0381 0.0398
Echinococcus granulosus intermediate filament protein 0.0028 0.0381 0.0674
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0687 0.1214
Brugia malayi intermediate filament protein 0.0028 0.0381 0.0454
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Echinococcus granulosus jun protein 0.0085 0.2561 0.4526
Echinococcus multilocularis musashi 0.0028 0.0381 0.0674
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.2012 0.3555
Plasmodium vivax glutathione reductase, putative 0.0051 0.1253 1
Brugia malayi hypothetical protein 0.0036 0.0678 0.0808
Plasmodium falciparum thioredoxin reductase 0.0051 0.1253 1
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0885 0.1564
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0687 0.1214
Brugia malayi follicle stimulating hormone receptor 0.024 0.839 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0138 0.4541 0.8024
Schistosoma mansoni lamin 0.0028 0.0381 0.0674
Schistosoma mansoni hypothetical protein 0.0036 0.0678 0.1199
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0687 0.1214
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0381 0.0454
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0885 0.1564
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Brugia malayi hypothetical protein 0.0019 0.005 0.0059
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.2012 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0381 0.0674
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.3709 0.8159
Echinococcus multilocularis lamin 0.0028 0.0381 0.0674
Brugia malayi nuclear hormone receptor 0.0036 0.0687 0.0819
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.4545 1
Echinococcus granulosus geminin 0.0167 0.5659 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0687 0.0764
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.005 0.0059
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.005 0.0088
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.4545 1
Toxoplasma gondii thioredoxin reductase 0.0051 0.1253 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0687 0.1214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0687 0.0764
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.3709 0.8159
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0687 0.0819
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0687 0.0819
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.4545 1
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.1253 0.6226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0687 0.0764
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0687 0.0819
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0687 0.1214
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.3929 0.6943
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0687 0.1214
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.2561 0.4526
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0678 0.1199
Brugia malayi nuclear receptor NHR-88 0.0036 0.0687 0.0819
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.2012 0.2353
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0687 0.1214
Brugia malayi bZIP transcription factor family protein 0.0085 0.2561 0.3052
Plasmodium falciparum glutathione reductase 0.0051 0.1253 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0687 0.1214
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0687 0.1214
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Loa Loa (eye worm) hypothetical protein 0.0036 0.0687 0.0764
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0687 0.1214
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3791 0.4485
Loa Loa (eye worm) glutathione reductase 0.0051 0.1253 0.1442
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0687 0.0819
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.3929 0.6943
Onchocerca volvulus 0.0036 0.0687 0.2056
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.005 0.0088
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.2012 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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

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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