Detailed information for compound 698832

Basic information

Technical information
  • TDR Targets ID: 698832
  • Name: 4-fluoro-N-[2-[6-[2-[(4-methylphenyl)amino]-2 -oxoethyl]sulfanyl-[1,2,4]triazolo[5,4-f]pyri dazin-3-yl]ethyl]benzamide
  • MW: 464.515 | Formula: C23H21FN6O2S
  • H donors: 2 H acceptors: 5 LogP: 3.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C)CSc1ccc2n(n1)c(CCNC(=O)c1ccc(cc1)F)nn2
  • InChi: 1S/C23H21FN6O2S/c1-15-2-8-18(9-3-15)26-21(31)14-33-22-11-10-19-27-28-20(30(19)29-22)12-13-25-23(32)16-4-6-17(24)7-5-16/h2-11H,12-14H2,1H3,(H,25,32)(H,26,31)
  • InChiKey: TZKKNMKTQLVPNM-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-fluoro-N-[2-[6-[2-[(4-methylphenyl)amino]-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]benzamide
  • 4-fluoro-N-[2-[6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]benzamide
  • 4-fluoro-N-[2-[6-[[2-keto-2-[(4-methylphenyl)amino]ethyl]thio]-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]benzamide

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 Mitotic checkpoint protein PRCC C terminal 0.0123 0.473 0.6594
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0944 0.1316
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0854 0.1353
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.5169 0.7206
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0038 0.0944 0.1495
Mycobacterium ulcerans beta-lactamase 0.0038 0.0944 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0944 0.1316
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0001 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1591 0.2518
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0944 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0944 0.1316
Brugia malayi beta-lactamase 0.0038 0.0944 0.1495
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0001 0.0002
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0944 0.0943
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0944 0.5
Schistosoma mansoni thyroid hormone receptor 0.0133 0.5169 0.7206
Leishmania major hypothetical protein, conserved 0.0038 0.0944 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.473 0.6594
Mycobacterium tuberculosis Conserved protein 0.0038 0.0944 0.0943
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0944 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1591 0.2518
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.4836 0.7656
Loa Loa (eye worm) beta-lactamase 0.0038 0.0944 0.1495
Schistosoma mansoni hypothetical protein 0.0178 0.7173 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0944 0.1495
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0944 0.1495
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0944 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0944 0.0943
Mycobacterium leprae Probable lipase LipE 0.0038 0.0944 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0944 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0001 0.0002
Mycobacterium tuberculosis Conserved protein 0.0038 0.0944 0.0943
Brugia malayi MH2 domain containing protein 0.0125 0.4836 0.7656
Brugia malayi beta-lactamase family protein 0.0038 0.0944 0.1495
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0854 0.1353
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0123 0.473 0.6594
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0001 0.0002
Mycobacterium tuberculosis Conserved protein 0.0038 0.0944 0.0943
Trichomonas vaginalis esterase, putative 0.0038 0.0944 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0944 0.1495
Loa Loa (eye worm) hypothetical protein 0.0038 0.0944 0.1495
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0001 0.0002
Toxoplasma gondii ABC1 family protein 0.0038 0.0944 1
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0944 0.0943
Brugia malayi hypothetical protein 0.0159 0.6317 1
Echinococcus multilocularis geminin 0.0178 0.7173 1
Echinococcus granulosus geminin 0.0178 0.7173 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0944 0.1495
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0001 0.0002
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0944 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0944 0.0943
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0944 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1591 0.2518
Brugia malayi beta-lactamase family protein 0.0038 0.0944 0.1495
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0944 1
Mycobacterium ulcerans lipase LipD 0.0038 0.0944 0.5
Mycobacterium ulcerans hypothetical protein 0.0038 0.0944 0.5
Onchocerca volvulus 0.0159 0.6317 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0944 0.1316
Loa Loa (eye worm) hypothetical protein 0.0038 0.0944 0.1495
Schistosoma mansoni hypothetical protein 0.0178 0.7173 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.4836 0.7656
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0001 0.0002
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0944 0.0943
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0944 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0854 0.1191
Loa Loa (eye worm) hypothetical protein 0.0159 0.6317 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0944 0.1495
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0944 0.5
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0944 1
Brugia malayi isocitrate dehydrogenase 0.0017 0.0001 0.0002
Schistosoma mansoni thyroid hormone receptor 0.0133 0.5169 0.7206
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0944 0.0943
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0944 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1591 0.2518
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0944 0.0943

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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