Detailed information for compound 687487

Basic information

Technical information
  • TDR Targets ID: 687487
  • Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl )sulfanyl]-N-(3,5-dichlorophenyl)acetamide
  • MW: 395.266 | Formula: C15H12Cl2N6OS
  • H donors: 2 H acceptors: 4 LogP: 2.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1N)c1ccncc1
  • InChi: 1S/C15H12Cl2N6OS/c16-10-5-11(17)7-12(6-10)20-13(24)8-25-15-22-21-14(23(15)18)9-1-3-19-4-2-9/h1-7H,8,18H2,(H,20,24)
  • InChiKey: IOBNGQOVMSNNGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
  • 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dichlorophenyl)acetamide
  • 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)ethanamide
  • ZINC04585955
  • ST5083514

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 granulosus calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Loa Loa (eye worm) major facilitator superfamily transporter 0.0033 0.0084 0.0199
Echinococcus multilocularis lysyl tRNA synthetase 0.0052 0.0283 0.0642
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Toxoplasma gondii protein kinase, putative 0.0655 0.6571 1
Entamoeba histolytica protein kinase, putative 0.0071 0.0484 1
Loa Loa (eye worm) sugar transporter 0.0232 0.216 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0071 0.0484 0.0404
Trypanosoma brucei THT1 - hexose transporter, putative 0.0072 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.007 0.0469 0.2017
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0033 0.0084 0.2954
Schistosoma mansoni glucose transport protein 0.0232 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Loa Loa (eye worm) hypothetical protein 0.0071 0.0484 0.2088
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0248 0.0794
Trichomonas vaginalis CAMK family protein kinase 0.0071 0.0484 0.1927
Chlamydia trachomatis lysine--tRNA ligase 0.0052 0.0283 1
Mycobacterium ulcerans integral membrane transport protein 0.0033 0.0084 0.2954
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0081 0.0589 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0052 0.0283 0.0961
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Schistosoma mansoni hypothetical protein 0.0232 0.216 1
Leishmania major glucose transporter, lmgt2 0.0072 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.007 0.0469 0.1855
Plasmodium vivax proline--tRNA ligase, putative 0.0081 0.0589 0.051
Entamoeba histolytica protein kinase, putative 0.0071 0.0484 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0375 0.3649 0.5495
Plasmodium falciparum calcium-dependent protein kinase 1 0.0071 0.0484 0.0404
Echinococcus granulosus tumor protein p63 0.0331 0.3191 1
Plasmodium falciparum protein kinase 7 0.0655 0.6571 0.6542
Trichomonas vaginalis glucose transporter, putative 0.0072 0.0493 0.1973
Leishmania major glucose transporter, lmgt3 0.0072 0.0493 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0072 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Schistosoma mansoni glucose transport protein 0.0232 0.216 1
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Toxoplasma gondii facilitative glucose transporter GT1 0.0232 0.216 0.3201
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Trypanosoma brucei glucose transporter 1E 0.0072 0.0493 0.8107
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0052 0.0283 0.395
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.007 0.0469 0.1855
Trichomonas vaginalis glucose transporter, putative 0.0072 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0052 0.0283 0.1141
Plasmodium falciparum proline--tRNA ligase 0.0081 0.0589 0.051
Plasmodium falciparum lysine--tRNA ligase 0.0052 0.0283 0.0201
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0081 0.0589 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.007 0.0469 0.124
Trichomonas vaginalis sugar transporter, putative 0.0072 0.0493 0.1973
Schistosoma mansoni protein kinase 0.0071 0.0484 0.1927
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.007 0.0469 0.1855
Onchocerca volvulus 0.0048 0.0248 1
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0071 0.0484 0.1288
Plasmodium falciparum hexose transporter 0.0232 0.216 0.2094
Plasmodium falciparum calcium-dependent protein kinase 4 0.0071 0.0484 0.0404
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0071 0.0484 0.7919
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Schistosoma mansoni protein kinase 0.0071 0.0484 0.1927
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0081 0.0589 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0033 0.0084 0.2954
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0081 0.0589 0.0779
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.007 0.0469 0.9253
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0154 0.1383
Plasmodium vivax lysine--tRNA ligase, putative 0.0052 0.0283 0.0201
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Plasmodium vivax hexose transporter 0.0232 0.216 0.2094
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0375 0.3649 0.3595
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0232 0.216 0.6683
Plasmodium vivax calcium-dependent protein kinase, putative 0.0071 0.0484 0.0404
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Trypanosoma cruzi hexose transporter 0.0072 0.0493 0.8107
Mycobacterium ulcerans sugar transporter 0.0033 0.0084 0.2954
Trypanosoma brucei THT1 - hexose transporter, putative 0.0072 0.0493 0.8107
Leishmania major lysyl-tRNA synthetase, putative 0.0052 0.0283 0.395
Echinococcus multilocularis tumor protein p63 0.0331 0.3191 1
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.216 1
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.007 0.0469 0.124
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0071 0.0484 0.2088
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Schistosoma mansoni lysyl-tRNA synthetase 0.0052 0.0283 0.0961
Trypanosoma cruzi hexose transporter, putative 0.0072 0.0493 0.8107
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0033 0.0084 0.5
Plasmodium falciparum mitogen-activated protein kinase 2 0.0375 0.3649 0.3595
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0071 0.0484 0.0617
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0071 0.0484 0.0404
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Trichomonas vaginalis sugar transporter, putative 0.0072 0.0493 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0072 0.0493 0.8107
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0052 0.0283 0.395
Leishmania major glucose transporter, lmgt1 0.0072 0.0493 0.8107
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0071 0.0484 0.2088
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0045 0.0217 0.0641
Leishmania major protein kinase, putative 0.0071 0.0484 0.7919
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0081 0.0589 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0052 0.0283 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0984 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0493 0.1973
Plasmodium falciparum calcium-dependent protein kinase 2 0.0071 0.0484 0.0404
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Brugia malayi lysyl-tRNA synthetase 0.0052 0.0283 0.0961
Trypanosoma brucei glucose transporter 2A 0.0072 0.0493 0.8107
Leishmania major glucose transporter/membrane transporter D2, putative 0.0072 0.0493 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0232 0.216 0.6683
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0081 0.0589 1
Schistosoma mansoni glucose transport protein 0.0232 0.216 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0052 0.0283 0.0961
Giardia lamblia Prolyl-tRNA synthetase 0.007 0.0469 1
Toxoplasma gondii lysine-tRNA ligase 0.0052 0.0283 0.0308
Echinococcus granulosus lysyl tRNA synthetase 0.0052 0.0283 0.0642
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0493 0.1973
Trypanosoma brucei glucose transporter, putative 0.0072 0.0493 0.8107
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.007 0.0469 0.1855
Trypanosoma cruzi hexose transporter, putative 0.0072 0.0493 0.8107
Loa Loa (eye worm) major facilitator superfamily transporter 0.0033 0.0084 0.0199
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Loa Loa (eye worm) sugar transporter 0.0033 0.0084 0.0199
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0052 0.0283 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0072 0.0493 0.8107
Treponema pallidum prolyl-tRNA synthetase 0.0025 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.0057 0.0333 0.1375
Brugia malayi Sugar transporter family protein 0.0232 0.216 1
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0071 0.0484 0.1927
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0071 0.0484 0.0617
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.007 0.0469 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0052 0.0283 0.3046
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0071 0.0484 0.1288
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Brugia malayi Cam kinase protein 1 0.0071 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.007 0.0469 0.2017
Plasmodium falciparum calcium-dependent protein kinase 3 0.0071 0.0484 0.0404
Echinococcus multilocularis calcium dependent protein kinase 0.0067 0.0438 0.1141
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0199
Echinococcus granulosus calcium dependent protein kinase 0.0067 0.0438 0.1141
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0071 0.0484 0.0404
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0071 0.0484 0.0617
Echinococcus multilocularis General substrate transporter 0.0199 0.1821 0.559
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0044 0.0202 1
Schistosoma mansoni protein kinase 0.0071 0.0484 0.1927
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0071 0.0484 0.0404
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.007 0.0469 0.1855
Echinococcus granulosus General substrate transporter 0.0199 0.1821 0.559
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0044 0.0202 1
Giardia lamblia Lysyl-tRNA synthetase 0.0052 0.0283 0.5182
Loa Loa (eye worm) hypothetical protein 0.0048 0.0248 0.0977

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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