Detailed information for compound 620571

Basic information

Technical information
  • TDR Targets ID: 620571
  • Name: 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4 -(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl ]-N-(2-methoxyphenyl)acetamide
  • MW: 482.487 | Formula: C22H19FN6O4S
  • H donors: 3 H acceptors: 7 LogP: 3.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)F)Cc1cc(O)nc(n1)O
  • InChi: 1S/C22H19FN6O4S/c1-33-17-5-3-2-4-16(17)25-20(31)12-34-22-28-27-18(10-14-11-19(30)26-21(32)24-14)29(22)15-8-6-13(23)7-9-15/h2-9,11H,10,12H2,1H3,(H,25,31)(H2,24,26,30,32)
  • InChiKey: IBWIFUGFTBDTRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide
  • 2-[[5-[(2,6-diketo-3H-pyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide
  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide

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 smad 0.0016 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0101 0.3683 0.3598
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.1415 0.1415
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.3404 1
Trypanosoma brucei trypanothione reductase 0.0037 0.1016 1
Schistosoma mansoni hypothetical protein 0.0101 0.3683 0.3683
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.1016 0.2985
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.9326 0.9317
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0251 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.1415 0.1415
Echinococcus granulosus Smad4 0.0016 0.0133 0.0133
Brugia malayi Smad1 0.0016 0.0133 0.0133
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.1016 0.0895
Brugia malayi MH1 domain containing protein 0.0016 0.0133 0.0133
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.3404 1
Loa Loa (eye worm) RNA binding protein 0.0251 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.3404 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.5637 0.5578
Schistosoma mansoni tar DNA-binding protein 0.0251 1 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0133 0.0133
Schistosoma mansoni hypothetical protein 0.0047 0.1415 0.1415
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1037 0.1037
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.5637 0.5637
Loa Loa (eye worm) glutathione reductase 0.0037 0.1016 0.0895
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0047 0.1415 0.1415
Echinococcus granulosus tar DNA binding protein 0.0251 1 1
Brugia malayi MH2 domain containing protein 0.0016 0.0133 0.0133
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.1415 0.1415
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.3008 0.8837
Brugia malayi MH2 domain containing protein 0.0235 0.9326 0.9326
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.1415 0.1415
Brugia malayi Latrophilin receptor protein 2 0.0047 0.1415 0.1415
Brugia malayi MH2 domain containing protein 0.0016 0.0133 0.0133
Toxoplasma gondii thioredoxin reductase 0.0037 0.1016 1
Plasmodium falciparum glutathione reductase 0.0037 0.1016 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0 0.5
Schistosoma mansoni Smad4 0.0016 0.0133 0.0133
Echinococcus granulosus GPCR family 2 0.0047 0.1415 0.1415
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.3683 0.3683
Echinococcus multilocularis tar DNA binding protein 0.0251 1 1
Echinococcus multilocularis smad 0.0016 0.0133 0.0133
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.1016 1
Loa Loa (eye worm) TAR-binding protein 0.0251 1 1
Brugia malayi MH1 domain containing protein 0.0016 0.0133 0.0133
Schistosoma mansoni smad1 5 8 and 0.0016 0.0133 0.0133
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0 0.5
Brugia malayi glutathione reductase 0.0037 0.1016 0.1016
Plasmodium falciparum thioredoxin reductase 0.0037 0.1016 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0133 0.0133
Schistosoma mansoni smad 0.0016 0.0133 0.0133
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.9326 0.9317
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1037 0.1037
Plasmodium vivax glutathione reductase, putative 0.0037 0.1016 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.5637 0.5637
Loa Loa (eye worm) hypothetical protein 0.0047 0.1415 0.1299
Schistosoma mansoni hypothetical protein 0.0047 0.1415 0.1415
Brugia malayi TAR-binding protein 0.0251 1 1
Echinococcus multilocularis Smad4 0.0016 0.0133 0.0133
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.3404 1
Schistosoma mansoni tar DNA-binding protein 0.0251 1 1
Leishmania major trypanothione reductase 0.0037 0.1016 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.1415 0.1415
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.3008 0.8837
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0133 0.0133
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.3008 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0251 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0251 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0013 0 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.1415 0.1415
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.1415 0.1415
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0013 0 0.5
Mycobacterium tuberculosis Probable reductase 0.0085 0.3008 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0251 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0133 0.0133
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.1415 0.1299
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.1016 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0133 0.0133
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0133 0.0133
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.3008 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0 0.5
Treponema pallidum NADH oxidase 0.0013 0 0.5
Brugia malayi Thioredoxin reductase 0.0037 0.1016 0.1016
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.3008 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0251 1 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0133 0.0133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.5637 0.5578

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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