Detailed information for compound 732719

Basic information

Technical information
  • TDR Targets ID: 732719
  • Name: 1-(1H-indol-3-yl)-2-[(4-phenyl-5-pyridin-4-yl -1,2,4-triazol-3-yl)sulfanyl]ethanone
  • MW: 411.479 | Formula: C23H17N5OS
  • H donors: 1 H acceptors: 4 LogP: 3.88 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c[nH]c2c1cccc2)CSc1nnc(n1c1ccccc1)c1ccncc1
  • InChi: 1S/C23H17N5OS/c29-21(19-14-25-20-9-5-4-8-18(19)20)15-30-23-27-26-22(16-10-12-24-13-11-16)28(23)17-6-2-1-3-7-17/h1-14,25H,15H2
  • InChiKey: WWLLKYHMRQRFPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(1H-indol-3-yl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
  • 1-(1H-indol-3-yl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone
  • ChemDiv1_016060
  • CBKinase1_002516
  • CBKinase1_014916
  • MixCom6_000220

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 0.0036 0.0115 0.0326
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0231 0.307 1
Echinococcus granulosus pantothenate kinase 4 0.023 0.3055 0.3055
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0641 0.0625
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0016 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0115 0.0326
Toxoplasma gondii fumble protein 0.023 0.3055 1
Brugia malayi Pre-SET motif family protein 0.0205 0.2675 0.8748
Schistosoma mansoni microtubule-associated protein tau 0.0688 1 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.0583 0.1565
Trypanosoma brucei pantothenate kinase subunit, putative 0.0231 0.307 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0323 0.0703
Echinococcus multilocularis tumor protein p63 0.0328 0.4544 0.4535
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0244 0.075
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0299 0.0283
Leishmania major hypothetical protein, conserved 0.005 0.0323 0.0703
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0115 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.1584 0.4914
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1089 0.1074
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0115 0.0099
Plasmodium falciparum pantothenate kinase 1, putative 0.023 0.3055 1
Echinococcus granulosus tumor protein p63 0.0328 0.4544 0.4544
Loa Loa (eye worm) hypothetical protein 0.0036 0.0115 0.0326
Toxoplasma gondii pantothenate kinase 0.0097 0.1043 0.3378
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0244 0.075
Onchocerca volvulus 0.0233 0.3104 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0115 0.0115
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1089 0.1074
Plasmodium vivax hypothetical protein, conserved 0.0097 0.1043 0.3378
Mycobacterium ulcerans hypothetical protein 0.0036 0.0115 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0323 0.1009
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.1089 0.1074
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0115 0.0326
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0231 0.307 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.3047 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0115 0.0326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0244 0.0228
Schistosoma mansoni pantothenate kinase 0.023 0.3055 0.3044
Toxoplasma gondii ABC1 family protein 0.0036 0.0115 0.0326
Trichomonas vaginalis pantothenate kinase, putative 0.023 0.3055 0.9838
Mycobacterium ulcerans lipase LipD 0.0036 0.0115 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0244 0.0228
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.1089 0.1089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0244 0.0244
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0641 0.0641
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0115 0.5
Schistosoma mansoni lipoxygenase 0.0123 0.1428 0.1414
Loa Loa (eye worm) hypothetical protein 0.0036 0.0115 0.0326
Brugia malayi hypothetical protein 0.0071 0.0641 0.2054
Loa Loa (eye worm) hypothetical protein 0.0067 0.0583 0.1865
Onchocerca volvulus 0.0048 0.0299 0.0916
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0115 0.0099
Plasmodium vivax pantothenate kinase, putative 0.023 0.3055 1
Schistosoma mansoni hypothetical protein 0.0071 0.0641 0.0625
Leishmania major pantothenate kinase subunit, putative 0.0231 0.307 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0115 0.0326
Loa Loa (eye worm) pantothenate kinase 0.023 0.3055 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0115 0.5
Brugia malayi Melibiase family protein 0.0067 0.0583 0.1865
Schistosoma mansoni pantothenate kinase 0.023 0.3055 0.3044
Loa Loa (eye worm) hypothetical protein 0.0048 0.0305 0.0949
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0323 0.0703
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0323 0.0703
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0115 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1089 0.1074
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0323 0.1009
Brugia malayi hypothetical protein 0.0032 0.0057 0.0132
Mycobacterium ulcerans beta-lactamase 0.0036 0.0115 0.5
Trichomonas vaginalis set domain proteins, putative 0.0233 0.3104 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0323 0.1009
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1089 0.1074
Echinococcus multilocularis microtubule associated protein 2 0.0688 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0073 0.0056
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0583 0.0568
Onchocerca volvulus 0.0036 0.0115 0.0321
Loa Loa (eye worm) hypothetical protein 0.0048 0.0299 0.093
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.1089 0.1074
Brugia malayi pantothenate kinase family protein 0.023 0.3055 1
Toxoplasma gondii melibiase subfamily protein 0.01 0.1089 0.3528
Trichomonas vaginalis pantothenate kinase, putative 0.023 0.3055 0.9838
Trichomonas vaginalis pantothenate kinase, putative 0.023 0.3055 0.9838
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0244 0.0228
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0305 0.0949
Loa Loa (eye worm) hypothetical protein 0.0036 0.0115 0.0326
Entamoeba histolytica pantothenate kinase 1, putative 0.023 0.3055 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0305 0.0949
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0641 0.0625
Onchocerca volvulus Fumble homolog 0.023 0.3055 0.9843
Echinococcus multilocularis pantothenate kinase 4 0.023 0.3055 0.3044
Schistosoma mansoni lipoxygenase 0.0086 0.087 0.0855
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0244 0.0228
Plasmodium falciparum pantothenate kinase 2, putative 0.0097 0.1043 0.2634
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0115 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0244 0.0228
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0583 0.0568
Loa Loa (eye worm) hypothetical protein 0.0033 0.0073 0.0186
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2675 0.8748
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0115 0.0326
Onchocerca volvulus 0.0036 0.0115 0.0321
Loa Loa (eye worm) hypothetical protein 0.0036 0.0115 0.0326
Brugia malayi beta-lactamase 0.0036 0.0115 0.0326
Giardia lamblia Pantothenate kinase 4 0.023 0.3055 0.5
Onchocerca volvulus 0.0036 0.0115 0.0321
Brugia malayi hypothetical protein 0.005 0.0323 0.1009
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.1428 0.1428
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.1428 0.1414
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0073 0.0186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0244 0.0244
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0305 0.0949
Trichomonas vaginalis pantothenate kinase, putative 0.023 0.3055 0.9838
Brugia malayi beta-lactamase family protein 0.0036 0.0115 0.0326
Trichomonas vaginalis pantothenate kinase, putative 0.023 0.3055 0.9838
Brugia malayi beta-lactamase family protein 0.0036 0.0115 0.0326

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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