Detailed information for compound 718351

Basic information

Technical information
  • TDR Targets ID: 718351
  • Name: 2-[(5-furan-2-yl-4-methyl-1,2,4-triazol-3-yl) sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
  • MW: 373.386 | Formula: C16H15N5O4S
  • H donors: 1 H acceptors: 5 LogP: 2.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)c1ccco1
  • InChi: 1S/C16H15N5O4S/c1-10-5-6-11(8-12(10)21(23)24)17-14(22)9-26-16-19-18-15(20(16)2)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,17,22)
  • InChiKey: CZJMBHPHVKGSHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide
  • 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide
  • 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide
  • 2-[(5-furan-2-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide
  • ZINC02873556
  • STK197814

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0036 0.038 0.4024
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0036 0.038 0.4525
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0072 0.0853
Entamoeba histolytica hypothetical protein 0.0038 0.0416 0.6352
Loa Loa (eye worm) doublecortin family protein 0.002 0.0123 0.047
Leishmania major cathepsin L-like protease 0.0066 0.0892 1
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0408 0.0028
Schistosoma mansoni lipoxygenase 0.002 0.0123 0.0675
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0839 0.0477
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0036 0.038 0.4525
Toxoplasma gondii cathepsin CPL 0.0017 0.0072 0.0002
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0072 0.0851
Schistosoma mansoni o-methyltransferase 0.0063 0.084 1
Schistosoma mansoni polycystin 1-related 0.002 0.0123 0.0675
Echinococcus granulosus methionyl aminopeptidase 2 0.005 0.0614 0.7321
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.0628 0.724
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.078 0.0467
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.0614 1
Echinococcus granulosus single minded 2 0.0037 0.0408 0.4859
Leishmania major hypothetical protein, conserved 0.0017 0.0071 0.08
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0892 1
Echinococcus multilocularis RUN 0.002 0.0123 0.1471
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0063 0.084 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.005 0.0614 0.661
Onchocerca volvulus 0.0017 0.0072 0.0851
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Brugia malayi O-methyltransferase family protein 0.0063 0.084 0.3009
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0408 0.1315
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.005 0.0614 0.7308
Loa Loa (eye worm) hypothetical protein 0.002 0.0123 0.047
Brugia malayi O-methyltransferase 0.0063 0.084 0.3009
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.0614 1
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0892 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.005 0.0614 0.7072
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0892 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.005 0.0614 0.9034
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Giardia lamblia Methionine aminopeptidase 0.005 0.0614 0.5
Leishmania major cathepsin L-like protease 0.0017 0.0072 0.0802
Schistosoma mansoni lipoxygenase 0.0057 0.0743 0.8729
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0072 0.0272
Brugia malayi Doublecortin family protein 0.002 0.0123 0.0203
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0408 0.4859
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0053 0.0672 0.7317
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.078 0.2774
Schistosoma mansoni rab6-interacting 0.002 0.0123 0.0675
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Onchocerca volvulus 0.0017 0.0072 0.0851
Loa Loa (eye worm) cysteine protease 0.0017 0.0072 0.0272
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.005 0.0614 0.6881
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0839 0.998
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0072 0.0003
Leishmania major cathepsin L-like protease 0.0017 0.0072 0.0802
Onchocerca volvulus 0.002 0.0123 0.1469
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0123 0.1471
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0053 0.0672 0.8013
Entamoeba histolytica hypothetical protein 0.0038 0.0416 0.6352
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Schistosoma mansoni hypothetical protein 0.002 0.0123 0.0675
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0654 0.7331
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.078 0.8743
Schistosoma mansoni loxhd1 0.002 0.0123 0.0675
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0053 0.0672 0.8013
Leishmania major cathepsin L-like protease 0.0017 0.0072 0.0802
Echinococcus granulosus RUN 0.002 0.0123 0.1471
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0892 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0796 0.8918
Onchocerca volvulus 0.0037 0.0408 0.485
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0072 0.0853
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0839 0.0477
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0072 0.0272
Schistosoma mansoni hypothetical protein 0.0038 0.0416 0.4483
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Brugia malayi hypothetical protein 0.0038 0.0416 0.1349
Echinococcus multilocularis methionyl aminopeptidase 2 0.005 0.0614 0.7321
Loa Loa (eye worm) fibroinase 0.0017 0.0072 0.0272
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0123 0.0866
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.078 0.0416
Plasmodium vivax vivapain-2 0.0017 0.0072 0.0003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0416 0.4962
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0123 0.1471
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.005 0.0614 0.7058
Leishmania major cathepsin L-like protease 0.0017 0.0072 0.0802
Onchocerca volvulus 0.0063 0.084 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0072 0.0853
Brugia malayi O-methyltransferase family protein 0.0063 0.084 0.3009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.078 0.0416
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0053 0.0672 0.7532
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0839 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Loa Loa (eye worm) methionine aminopeptidase type I 0.0053 0.0672 0.2559
Brugia malayi hypothetical protein 0.002 0.0123 0.0203
Echinococcus multilocularis cysteine protease 0.0017 0.0072 0.0853
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.005 0.0614 0.6881
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0072 0.0003
Entamoeba histolytica hypothetical protein 0.0038 0.0416 0.6352
Loa Loa (eye worm) initiation factor 2-associated protein 0.005 0.0614 0.2338
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0053 0.0672 0.7317
Leishmania major cathepsin L-like protease 0.0066 0.0892 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0072 0.0853
Onchocerca volvulus 0.0063 0.084 1
Onchocerca volvulus 0.0017 0.0072 0.0851
Toxoplasma gondii methionine aminopeptidase 0.0053 0.0672 0.7828
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0839 0.9399
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.0543 0.8939 1
Plasmodium vivax vivapain-2 0.0017 0.0072 0.0003
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.078 0.9219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Brugia malayi hypothetical protein 0.002 0.0123 0.0203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Schistosoma mansoni o-methyltransferase 0.0063 0.084 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Trypanosoma brucei methionine aminopeptidase, putative 0.0053 0.0672 0.7317
Mycobacterium ulcerans methyltransferase 0.0063 0.084 0.0478
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0123 0.1471
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0123 0.0866
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0123 0.1471
Onchocerca volvulus 0.0017 0.0072 0.0851
Onchocerca volvulus 0.0017 0.0072 0.0851
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0053 0.0672 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0036 0.038 0.4533
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.078 0.9302
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0053 0.0672 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0743 0.8853
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0072 0.0853
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0036 0.038 0.5141
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.0614 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0053 0.0672 0.7532
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0123 0.1471
Loa Loa (eye worm) ctsf protein 0.0017 0.0072 0.0272
Treponema pallidum methionine aminopeptidase (map) 0.0036 0.038 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0416 0.6352
Schistosoma mansoni o-methyltransferase 0.0063 0.084 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0036 0.038 0.4015
Schistosoma mansoni single-minded 0.005 0.0628 0.724
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0072 0.0802
Chlamydia trachomatis methionine aminopeptidase 0.0036 0.038 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0063 0.084 1
Schistosoma mansoni o-methyltransferase 0.0063 0.084 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0072 0.1165
Brugia malayi Methionine aminopeptidase protein type I 0.0053 0.0672 0.235
Leishmania major methionine aminopeptidase 2, putative 0.005 0.0614 0.6881
Trypanosoma brucei methionine aminopeptidase 2, putative 0.005 0.0614 0.661
Brugia malayi hypoxia-induced factor 1 0.0156 0.2406 0.9137
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0839 0.0477
Mycobacterium tuberculosis Probable methyltransferase 0.0063 0.084 0.0538
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0053 0.0672 0.7532
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0416 0.4962
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.0614 1
Leishmania major cathepsin L-like protease 0.0017 0.0072 0.0802
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0839 0.0536
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0743 0.8853
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0071 0.08
Loa Loa (eye worm) O-methyltransferase 0.0063 0.084 0.3199
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0839 1
Brugia malayi initiation factor 2-associated protein. 0.005 0.0614 0.2123
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0839 0.998
Brugia malayi hypothetical protein 0.0169 0.2627 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0713 0.2714
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0072 0.0851
Loa Loa (eye worm) hypoxia-induced factor 1 0.0156 0.2406 0.916
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Loa Loa (eye worm) hypothetical protein 0.0169 0.2627 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Echinococcus multilocularis cysteine protease 0.0017 0.0072 0.0853
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0036 0.038 0.5141
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0072 0.0853
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0416 0.4483
Loa Loa (eye worm) hypothetical protein 0.002 0.0123 0.047
Toxoplasma gondii methionine aminopeptidase 0.0036 0.038 0.4024
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0072 0.0003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.084 0.3199
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0072 0.0851
Onchocerca volvulus 0.0017 0.0072 0.0851
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.078 0.9302
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0072 0.1165
Echinococcus granulosus cathepsin l1 0.0017 0.0072 0.0853
Brugia malayi PAS domain containing protein 0.005 0.0628 0.2178
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0072 0.1165
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0072 0.1165
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0123 0.1471
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0071 0.08
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0036 0.038 0.4015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 1
Plasmodium falciparum methionine aminopeptidase 2 0.005 0.0614 0.9034
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0072 0.0802
Onchocerca volvulus 0.002 0.0123 0.1469
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0839 1
Entamoeba histolytica methionine aminopeptidase, putative 0.005 0.0614 1
Brugia malayi O-methyltransferase family protein 0.0063 0.084 0.3009
Leishmania major cathepsin L-like protease 0.0066 0.0892 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0072 0.0272
Schistosoma mansoni rab6-interacting 0.002 0.0123 0.0675
Onchocerca volvulus 0.0017 0.0072 0.0851
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0892 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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