Detailed information for compound 687711

Basic information

Technical information
  • TDR Targets ID: 687711
  • Name: 3-(4-chlorophenyl)-6-(4-fluorophenyl)-7H-[1,2 ,4]triazolo[3,4-b][1,3,4]thiadiazine
  • MW: 344.794 | Formula: C16H10ClFN4S
  • H donors: 0 H acceptors: 2 LogP: 4.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl
  • InChi: 1S/C16H10ClFN4S/c17-12-5-1-11(2-6-12)15-19-20-16-22(15)21-14(9-23-16)10-3-7-13(18)8-4-10/h1-8H,9H2
  • InChiKey: DCJHSDUAJLLDBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00532952
  • ST5421845

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
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0132 0.0203
Echinococcus multilocularis geminin 0.0172 0.202 0.202
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0074 0.0777 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0132 0.5
Schistosoma mansoni hypothetical protein 0.0172 0.202 0.3863
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0305 0.3717 0.7109
Mycobacterium tuberculosis Conserved protein 0.0035 0.0286 0.0657
Loa Loa (eye worm) hypothetical protein 0.0017 0.0057 0.0112
Brugia malayi beta-lactamase family protein 0.0035 0.0286 0.0547
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0057 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0423 0.5229 0.5229
Mycobacterium ulcerans hypothetical protein 0.0035 0.0286 0.0619
Schistosoma mansoni hypothetical protein 0.0305 0.3717 0.7109
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0423 0.5229 1
Onchocerca volvulus 0.0035 0.0286 0.3249
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0082 0.088 0.2223
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0132 0.0203
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0074 0.0777 0.1946
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0423 0.5229 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0132 0.0203
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0286 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0565
Mycobacterium leprae Probable lipase LipE 0.0035 0.0286 0.2388
Onchocerca volvulus 0.0035 0.0286 0.3249
Mycobacterium tuberculosis Conserved protein 0.0035 0.0286 0.0657
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0074 0.0777 0.1946
Schistosoma mansoni alcohol dehydrogenase 0.0074 0.0777 0.1487
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0286 0.0547
Loa Loa (eye worm) hypothetical protein 0.0023 0.0132 0.026
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0132 0.0238
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0074 0.0777 0.1535
Loa Loa (eye worm) voltage-gated potassium channel 0.041 0.5063 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0565
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0286 0.0657
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0132 0.5
Trichomonas vaginalis esterase, putative 0.0035 0.0286 1
Onchocerca volvulus 0.0082 0.088 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0132 0.4607
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0305 0.3717 0.5
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0074 0.0777 0.1946
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0286 0.0657
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0286 1
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0082 0.088 0.1682
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0286 0.0547
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0132 0.0252
Loa Loa (eye worm) beta-lactamase 0.0035 0.0286 0.0565
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0286 0.0619
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0057 0.5
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0286 0.2388
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0286 0.0286
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0286 0.0657
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0074 0.0777 0.1995
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0132 0.0203
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0132 0.0238
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0286 0.0657
Loa Loa (eye worm) hypothetical protein 0.0023 0.0132 0.026
Brugia malayi hypothetical protein 0.0082 0.088 0.1682
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0286 0.0657
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0305 0.3717 0.9886
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0082 0.088 0.1737
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0132 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0286 0.0547
Brugia malayi beta-lactamase family protein 0.0035 0.0286 0.0547
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0132 0.4607
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0286 0.0565
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0286 0.0619
Schistosoma mansoni hypothetical protein 0.0172 0.202 0.3863
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0286 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0057 0.0112
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0286 1
Mycobacterium ulcerans ion transport protein 0.0308 0.3759 1
Brugia malayi beta-lactamase 0.0035 0.0286 0.0547
Onchocerca volvulus 0.0035 0.0286 0.3249
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0286 0.0657
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0065 0.0662 0.1682
Brugia malayi NADH dehydrogenase subunit 1 0.0082 0.088 0.1682
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0565
Onchocerca volvulus 0.0082 0.088 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0074 0.0777 0.1946
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0286 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0286 0.0619
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0423 0.5229 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0132 0.0252
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0065 0.0662 0.1682
Mycobacterium ulcerans hypothetical protein 0.0023 0.0132 0.0203
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0082 0.088 0.2274
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0305 0.3717 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0565
Leishmania major hypothetical protein, conserved 0.0035 0.0286 1
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0082 0.088 0.1682
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0565
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0057 0.0033
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0286 0.0657
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0132 0.0203
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0286 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0286 0.0619
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0286 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0286 0.0565
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0074 0.0777 0.1946
Loa Loa (eye worm) hypothetical protein 0.0017 0.0057 0.0112
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0286 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0057 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0132 0.0252
Brugia malayi Alcohol dehydrogenase class III 0.0074 0.0777 0.1487
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0286 0.0547
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0286 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0132 0.026
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2718 0.7279
Onchocerca volvulus 0.0023 0.0132 0.1497
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0132 0.0203
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0074 0.0777 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0132 0.0203
Echinococcus granulosus geminin 0.0172 0.202 0.3863
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0132 0.4607
Mycobacterium tuberculosis Conserved protein 0.0035 0.0286 0.0657
Onchocerca volvulus Putative alcohol dehydrogenase 0.0074 0.0777 0.8836
Toxoplasma gondii ABC1 family protein 0.0035 0.0286 0.3677
Loa Loa (eye worm) hypothetical protein 0.0017 0.0057 0.0112

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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