Detailed information for compound 627041

Basic information

Technical information
  • TDR Targets ID: 627041
  • Name: N-(2-fluorophenyl)-2-[(3-thiophen-2-yl-[1,2,4 ]triazolo[3,4-f]pyridazin-6-yl)sulfanyl]aceta mide
  • MW: 385.438 | Formula: C17H12FN5OS2
  • H donors: 1 H acceptors: 4 LogP: 2.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)CSc1ccc2n(n1)c(nn2)c1cccs1
  • InChi: 1S/C17H12FN5OS2/c18-11-4-1-2-5-12(11)19-15(24)10-26-16-8-7-14-20-21-17(23(14)22-16)13-6-3-9-25-13/h1-9H,10H2,(H,19,24)
  • InChiKey: FBDQODIXFVKLJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-fluorophenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide
  • N-(2-fluorophenyl)-2-[[3-(2-thienyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetamide
  • N-(2-fluorophenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)sulfanyl]ethanamide
  • ZINC04326610

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
Schistosoma mansoni tar DNA-binding protein 0.0127 0.348 0.3453
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0725 0.0686
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0725 0.119
Echinococcus granulosus histone lysine methyltransferase setb 0.0068 0.1336 0.2193
Trichomonas vaginalis set domain proteins, putative 0.0252 0.7967 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.1627 0.2669
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.1336 0.13
Loa Loa (eye worm) MBCTL1 0.0058 0.0978 0.0981
Schistosoma mansoni zinc finger protein 0.0032 0.006 0.0018
Echinococcus granulosus fetal alzheimer antigen falz 0.0048 0.061 0.1001
Loa Loa (eye worm) RNA binding protein 0.0127 0.348 0.4306
Schistosoma mansoni hypothetical protein 0.0032 0.006 0.0018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.1336 0.13
Loa Loa (eye worm) hypothetical protein 0.0086 0.1991 0.2327
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0048 0.061 0.0939
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0194 0.0318
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0725 0.119
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0725 0.0862
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.02 0.6095 1
Loa Loa (eye worm) hypothetical protein 0.009 0.2136 0.252
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 0.7766 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0978 0.1212
Loa Loa (eye worm) hypothetical protein 0.0149 0.4267 0.5351
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.1627 0.2618
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0048 0.061 0.0571
Brugia malayi MH2 domain containing protein 0.0123 0.334 0.4271
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0978 0.1605
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0042 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0043 0.0465 0.0299
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0194 0.0152
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0978 0.1605
Echinococcus multilocularis zinc finger protein 0.0041 0.0385 0.0567
Brugia malayi follicle stimulating hormone receptor 0.0246 0.7766 1
Brugia malayi Bromodomain containing protein 0.0158 0.4592 0.5891
Echinococcus granulosus zinc finger protein 0.0041 0.0385 0.0632
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0194 0.0152
Brugia malayi mbt repeat family protein 0.0051 0.0725 0.0885
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0068 0.1336 0.2138
Loa Loa (eye worm) hypothetical protein 0.0051 0.0725 0.0645
Schistosoma mansoni zinc finger protein 0.0041 0.0385 0.0345
Schistosoma mansoni tar DNA-binding protein 0.0127 0.348 0.3453
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.348 0.4306
Brugia malayi TAR-binding protein 0.0127 0.348 0.4452
Loa Loa (eye worm) hypothetical protein 0.0058 0.0978 0.0981
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.334 0.412
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0978 0.094
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0725 0.0686
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0725 0.1129
Trypanosoma brucei ISWI complex protein 0.0032 0.006 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0725 0.0686
Leishmania major hypothetical protein, conserved 0.0032 0.006 0.5
Trypanosoma cruzi ISWI complex protein 0.0032 0.006 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0126 0.3431 0.5598
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.348 0.4452
Brugia malayi Bromodomain containing protein 0.0081 0.1806 0.2284
Echinococcus granulosus tar DNA binding protein 0.0127 0.348 0.571
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0978 0.1546
Schistosoma mansoni tar DNA-binding protein 0.0127 0.348 0.3453
Loa Loa (eye worm) hypothetical protein 0.0068 0.1336 0.1457
Brugia malayi Pre-SET motif family protein 0.0221 0.6867 0.8836
Trypanosoma cruzi ISWI complex protein 0.0032 0.006 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.1812 0.2088
Schistosoma mansoni tar DNA-binding protein 0.0127 0.348 0.3453
Loa Loa (eye worm) TAR-binding protein 0.0127 0.348 0.4306
Schistosoma mansoni hypothetical protein 0.0043 0.0465 0.0425
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0978 0.1546
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0194 0.025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.6867 0.8805
Brugia malayi PHD-finger family protein 0.0053 0.079 0.0968
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0725 0.1129
Onchocerca volvulus 0.0051 0.0725 0.0862
Onchocerca volvulus 0.0252 0.7967 1
Brugia malayi mbt repeat family protein 0.0051 0.0725 0.0885
Schistosoma mansoni tar DNA-binding protein 0.0127 0.348 0.3453
Plasmodium vivax SET domain protein, putative 0.0032 0.0042 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.02 0.6095 1
Brugia malayi RNA binding protein 0.0127 0.348 0.4452
Schistosoma mansoni bromodomain containing protein 0.0133 0.3702 0.3676
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.334 0.412
Echinococcus multilocularis tar DNA binding protein 0.0127 0.348 0.568
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0126 0.3431 0.5628
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0725 0.0645

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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