Detailed information for compound 714408

Basic information

Technical information
  • TDR Targets ID: 714408
  • Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl )sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
  • MW: 381.495 | Formula: C20H23N5OS
  • H donors: 1 H acceptors: 4 LogP: 3.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1c1ccncc1
  • InChi: 1S/C20H23N5OS/c1-4-25-19(15-9-11-21-12-10-15)23-24-20(25)27-13-18(26)22-17-8-6-5-7-16(17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)
  • InChiKey: MEHVJXWXJZODFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)acetamide
  • 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-isopropylphenyl)acetamide
  • 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide
  • ZINC02415406
  • ST5081142

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
Echinococcus multilocularis muscleblind protein 0.0145 0.1212 0.4067
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0066 0.039 0.039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0204 0.1836 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 0.039 0.0304
Leishmania major oxidoreductase-like protein 0.0066 0.039 1
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0066 0.039 0.0304
Brugia malayi hypothetical protein 0.0111 0.0854 0.4652
Loa Loa (eye worm) retinol dehydrogenase 12 0.0066 0.039 0.1309
Schistosoma mansoni hypothetical protein 0.003 0.0003 0.0011
Loa Loa (eye worm) oxidoreductase 0.0066 0.039 0.1309
Brugia malayi beta-lactamase 0.0038 0.0089 0.0485
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Echinococcus granulosus snurportin 1 0.0313 0.2979 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0069 0.0231
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0221 0.0221
Leishmania major pteridine reductase 1 0.0066 0.039 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0003 0.0011
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0221 0.4383
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0069 0.0231
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0069 0.0231
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0392 0.1315
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0066 0.039 0.0304
Echinococcus multilocularis snurportin 1 0.0313 0.2979 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.037 0.1243
Trypanosoma brucei pteridine reductase 1 0.0066 0.039 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0125 0.0421
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Plasmodium vivax hypothetical protein, conserved 0.003 0.0003 0.0003
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0003 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0392 0.1315
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.039 0.0304
Echinococcus granulosus muscleblind protein 0.0145 0.1212 0.4067
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0221 0.4383
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0089 0.0299
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0221 0.0221
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0221 0.0221
Schistosoma mansoni transcription factor LCR-F1 0.0111 0.0854 0.2866
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0066 0.039 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0066 0.039 0.1309
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0066 0.039 0.0304
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0089 0.0299
Onchocerca volvulus 0.0066 0.039 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0712 0.2389
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0003 0.0003
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0069 0.0231
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.037 0.1243
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.2229 0.2159
Brugia malayi hypothetical protein 0.005 0.0221 0.1204
Brugia malayi TAR-binding protein 0.0067 0.0392 0.2134
Brugia malayi jmjC domain containing protein 0.0036 0.0069 0.0375
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0066 0.039 1
Loa Loa (eye worm) hypothetical protein 0.0204 0.1836 0.6161
Trichomonas vaginalis hypothetical protein 0.0982 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0066 0.039 1
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0003 0.0003
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0392 0.1315
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0392 0.2134
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0066 0.039 0.0304
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0221 0.5666
Entamoeba histolytica hypothetical protein 0.0111 0.0854 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0066 0.039 0.039
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.1243
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0335 0.1124
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0003 0.0011
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0712 0.2389
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0066 0.039 0.0304
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0221 0.0221
Brugia malayi beta-lactamase family protein 0.0038 0.0089 0.0485
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Onchocerca volvulus 0.0038 0.0089 0.2216
Loa Loa (eye worm) hypothetical protein 0.0038 0.0089 0.0299
Schistosoma mansoni hypothetical protein 0.0111 0.0854 0.2866
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.039 0.0304
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0066 0.039 0.039
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.037 0.1243
Plasmodium falciparum phd finger protein, putative 0.003 0.0003 0.0003
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Loa Loa (eye worm) hypothetical protein 0.0065 0.037 0.1243
Brugia malayi Latrophilin receptor protein 2 0.0065 0.037 0.2017
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0089 0.0485
Mycobacterium ulcerans oxidoreductase 0.0066 0.039 0.0304
Leishmania major hypothetical protein, conserved 0.005 0.0221 0.4383
Brugia malayi RNA binding protein 0.0067 0.0392 0.2134
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0066 0.039 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0003 0.0011
Loa Loa (eye worm) hypothetical protein 0.014 0.1157 0.3884
Loa Loa (eye worm) hypothetical protein 0.0038 0.0089 0.0299
Echinococcus multilocularis GPCR, family 2 0.0065 0.037 0.1243
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0204 0.1836 0.6161
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0066 0.039 0.0304
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0392 0.1315
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.1243
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0066 0.039 0.1309
Onchocerca volvulus 0.0038 0.0089 0.2216
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0066 0.039 0.039
Entamoeba histolytica hypothetical protein 0.0111 0.0854 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0066 0.039 1
Trypanosoma brucei oxidoreductase-like protein 0.0066 0.039 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Schistosoma mansoni hypothetical protein 0.014 0.1157 0.3884
Brugia malayi beta-lactamase family protein 0.0038 0.0089 0.0485
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0066 0.039 1
Brugia malayi PHD-finger family protein 0.003 0.0003 0.0019
Echinococcus granulosus peregrin 0.003 0.0003 0.0011
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Brugia malayi RNA, U transporter 1 0.0083 0.0568 0.3093
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0392 0.1315
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.039 0.0304
Loa Loa (eye worm) hypothetical protein 0.0145 0.1212 0.4067
Loa Loa (eye worm) hypothetical protein 0.005 0.0221 0.0742
Echinococcus granulosus geminin 0.0169 0.1464 0.4915
Loa Loa (eye worm) RNA binding protein 0.0067 0.0392 0.1315
Loa Loa (eye worm) hypothetical protein 0.0038 0.0089 0.0299
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0066 0.039 0.0304
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.039 0.0304
Entamoeba histolytica hypothetical protein 0.0111 0.0854 1
Brugia malayi jmjC domain containing protein 0.0097 0.0712 0.3878
Brugia malayi Muscleblind-like protein 0.0145 0.1212 0.6602
Loa Loa (eye worm) hypothetical protein 0.0051 0.0226 0.0758
Schistosoma mansoni hypothetical protein 0.0169 0.1464 0.4915
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0982 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0089 0.2284
Onchocerca volvulus 0.0038 0.0089 0.2216
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0069 0.0231
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.1243
Schistosoma mansoni hypothetical protein 0.0065 0.037 0.1243
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.037 0.2017
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0982 1 1
Onchocerca volvulus 0.0066 0.039 1
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0392 0.1315
Schistosoma mansoni dihydropteridine reductase 0.0066 0.039 0.1309
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0066 0.039 0.0304
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Brugia malayi Bromodomain containing protein 0.003 0.0003 0.0019
Loa Loa (eye worm) hypothetical protein 0.0038 0.0089 0.0299
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0089 0.0299
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0392 0.1315
Giardia lamblia PHD finger protein 15 0.003 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.1212 0.4067
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0066 0.039 0.039
Mycobacterium tuberculosis Probable oxidoreductase 0.0066 0.039 0.0304
Loa Loa (eye worm) hypothetical protein 0.0038 0.0089 0.0299
Brugia malayi hypothetical protein 0.0033 0.0034 0.0183
Echinococcus multilocularis peregrin 0.003 0.0003 0.0011
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.037 0.1243
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0392 0.1315
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Schistosoma mansoni hypothetical protein 0.0169 0.1464 0.4915
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.039 0.0304
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0089 0.0299
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0089 0.0089
Echinococcus multilocularis geminin 0.0169 0.1464 0.4915
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.037 0.1243
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0313 0.2979 1
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.1157 0.6305
Loa Loa (eye worm) hypothetical protein 0.003 0.0003 0.0011
Loa Loa (eye worm) hypothetical protein 0.0066 0.039 0.1309
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0066 0.039 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0111 0.0854 0.2866
Echinococcus granulosus tar DNA binding protein 0.0067 0.0392 0.1315
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0982 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.039 0.0304
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1212 0.4067
Entamoeba histolytica hypothetical protein 0.0111 0.0854 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0066 0.039 0.0304
Plasmodium falciparum enoyl-acyl carrier reductase 0.0982 1 1
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0502 0.1686
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0066 0.039 0.1309
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0089 0.0299
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.039 0.0304
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0111 0.0854 0.2866
Loa Loa (eye worm) beta-lactamase 0.0038 0.0089 0.0299
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 0.039 0.0304
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0125 0.0421
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0982 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0982 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0066 0.039 0.1309
Loa Loa (eye worm) hypothetical protein 0.0038 0.0089 0.0299
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0982 1 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0089 0.0089
Brugia malayi Calcitonin receptor-like protein seb-1 0.0204 0.1836 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0066 0.039 0.2126
Echinococcus granulosus GPCR family 2 0.0065 0.037 0.1243
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0066 0.039 0.2126
Schistosoma mansoni hypothetical protein 0.0313 0.2979 1

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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