Detailed information for compound 617504

Basic information

Technical information
  • TDR Targets ID: 617504
  • Name: 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[5,4-c][ 1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluorom ethyl)phenyl]acetamide
  • MW: 401.387 | Formula: C14H10F3N5O2S2
  • H donors: 1 H acceptors: 2 LogP: 3.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(F)(F)F)CSc1nn2c(s1)nnc(c2=O)C
  • InChi: 1S/C14H10F3N5O2S2/c1-7-11(24)22-12(20-19-7)26-13(21-22)25-6-10(23)18-9-4-2-8(3-5-9)14(15,16)17/h2-5H,6H2,1H3,(H,18,23)
  • InChiKey: MYGGVKCGBNVXGG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[5,4-c][1,2,4]triazin-7-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide
  • 2-[(4-keto-3-methyl-[1,3,4]thiadiazolo[5,4-c][1,2,4]triazin-7-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide
  • 2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[5,4-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide
  • ZINC04347078

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 thioredoxin glutathione reductase 0.0038 0.1179 0.2184
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.5399 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.3421 0.8405
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5399 1
Trichomonas vaginalis esterase, putative 0.0035 0.1048 1
Mycobacterium tuberculosis Probable reductase 0.0085 0.3421 0.3421
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1048 0.1048
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.3421 0.3421
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1048 0.1048
Onchocerca volvulus 0.0035 0.1048 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5399 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1048 0.9071
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1048 1
Brugia malayi MH2 domain containing protein 0.0118 0.4969 0.9202
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1048 0.1048
Loa Loa (eye worm) RNA binding protein 0.0127 0.5399 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4969 0.901
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1048 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1048 0.9071
Plasmodium vivax glutathione reductase, putative 0.0037 0.1156 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1048 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.3871 0.3871
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.3421 0.3421
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.3421 0.3421
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1048 1
Trypanosoma brucei trypanothione reductase 0.0037 0.1156 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.3871 0.3871
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5399 1
Brugia malayi Thioredoxin reductase 0.0037 0.1156 0.214
Brugia malayi TAR-binding protein 0.0127 0.5399 1
Plasmodium falciparum glutathione reductase 0.0037 0.1156 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1179 0.2184
Mycobacterium ulcerans beta-lactamase 0.0035 0.1048 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Onchocerca volvulus 0.0035 0.1048 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1048 0.1942
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1048 0.1048
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4969 0.901
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5399 1
Brugia malayi glutathione reductase 0.0037 0.1156 0.214
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.3421 0.3421
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.1048 0.1942
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1048 0.1942
Brugia malayi RNA binding protein 0.0127 0.5399 1
Loa Loa (eye worm) TAR-binding protein 0.0127 0.5399 1
Brugia malayi beta-lactamase 0.0035 0.1048 0.1942
Brugia malayi beta-lactamase family protein 0.0035 0.1048 0.1942
Mycobacterium tuberculosis Conserved protein 0.0035 0.1048 0.1048
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1156 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1048 0.1048
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1048 0.1048
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.3421 0.3421
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1048 0.1942
Mycobacterium tuberculosis Conserved protein 0.0035 0.1048 0.1048
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1048 0.1942
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1048 0.9071
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1048 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1156 1
Echinococcus multilocularis tar DNA binding protein 0.0127 0.5399 1
Echinococcus granulosus tar DNA binding protein 0.0127 0.5399 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.1048 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1048 0.1048
Toxoplasma gondii thioredoxin reductase 0.0037 0.1156 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5399 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1048 0.1942
Toxoplasma gondii ABC1 family protein 0.0035 0.1048 0.9071
Leishmania major hypothetical protein, conserved 0.0035 0.1048 0.9071
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1048 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.3871 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1156 0.0247
Plasmodium falciparum thioredoxin reductase 0.0037 0.1156 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1048 0.9071
Loa Loa (eye worm) glutathione reductase 0.0037 0.1156 0.0247
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1048 1
Mycobacterium ulcerans lipase LipD 0.0035 0.1048 1
Leishmania major trypanothione reductase 0.0037 0.1156 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1048 0.1048
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1156 0.1156
Onchocerca volvulus 0.0035 0.1048 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.3871 0.3871
Treponema pallidum NADH oxidase 0.0013 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.5399 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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