Detailed information for compound 620533

Basic information

Technical information
  • TDR Targets ID: 620533
  • Name: 6-[[4-(4-fluorophenyl)-5-[(2-methylphenyl)met hylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-py rimidine-2,4-dione
  • MW: 423.463 | Formula: C21H18FN5O2S
  • H donors: 2 H acceptors: 6 LogP: 4.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1c(SCc2ccccc2C)nnc1Cc1cc(O)nc(n1)O
  • InChi: 1S/C21H18FN5O2S/c1-13-4-2-3-5-14(13)12-30-21-26-25-18(10-16-11-19(28)24-20(29)23-16)27(21)17-8-6-15(22)7-9-17/h2-9,11H,10,12H2,1H3,(H2,23,24,28,29)
  • InChiKey: KUEJAHNKHVFQDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[[4-(4-fluorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
  • 6-[[4-(4-fluorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]uracil

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Echinococcus granulosus lamin dm0 0.0055 0.0366 0.036
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0258 0.0252
Brugia malayi mothers against decapentaplegic homolog 3 0.0022 0.0041 0.0042
Echinococcus multilocularis microtubule associated protein 2 0.0713 0.6961 0.6959
Brugia malayi latrophilin 2 splice variant baaae 0.0179 0.1612 0.1914
Loa Loa (eye worm) RNA binding protein 0.0856 0.8394 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0106 1
Loa Loa (eye worm) TAR-binding protein 0.0856 0.8394 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.019 0.1723 0.8898
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1937
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.0657 0.0651
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0258 0.03
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0168 0.6414
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0106 0.163
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0258 0.03
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0168 0.6414
Mycobacterium tuberculosis Probable reductase 0.019 0.1723 0.8898
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.0648 0.0642
Onchocerca volvulus 0.0055 0.0366 0.2566
Brugia malayi intermediate filament protein 0.0055 0.0366 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0168 0.6414
Loa Loa (eye worm) thioredoxin reductase 0.0083 0.0652 0.077
Loa Loa (eye worm) MH2 domain-containing protein 0.0735 0.7185 0.8559
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0106 0.0119
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0106 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0103 0.3851
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0106 0.163
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.0657 0.0651
Loa Loa (eye worm) hypothetical protein 0.0026 0.0082 0.009
Echinococcus multilocularis GPCR, family 2 0.0083 0.0648 0.0642
Echinococcus granulosus tar DNA binding protein 0.0856 0.8394 0.8393
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0168 0.2504
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0106 0.3976
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.0648 0.0642
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0106 0.1549
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0111 0.0125
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0106 0.3976
Echinococcus granulosus smad 0.005 0.0319 0.0313
Brugia malayi MH1 domain containing protein 0.005 0.0319 0.0373
Echinococcus granulosus GPCR family 2 0.0083 0.0648 0.0642
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0211 0.1935 1
Brugia malayi RNA binding protein 0.0856 0.8394 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0106 1
Schistosoma mansoni smad1 5 8 and 0.005 0.0319 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1923
Onchocerca volvulus 0.0055 0.0366 0.2566
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0211 0.1935 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1937
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0106 0.1549
Loa Loa (eye worm) hypothetical protein 0.0262 0.2443 0.2905
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Trypanosoma brucei unspecified product 0.0019 0.0006 0.0095
Brugia malayi Thioredoxin reductase 0.0083 0.0652 0.077
Schistosoma mansoni hypothetical protein 0.0083 0.0648 0.0765
Echinococcus multilocularis mothers against decapentaplegic 6 0.0022 0.0041 0.0035
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0366 0.0429
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Brugia malayi RNA recognition motif domain containing protein 0.0856 0.8394 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0356 0.0417
Loa Loa (eye worm) hypothetical protein 0.0025 0.0072 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0082 0.0076
Schistosoma mansoni tar DNA-binding protein 0.0856 0.8394 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0106 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0106 0.163
Brugia malayi Smad1 0.005 0.0319 0.0373
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0319 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0258 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.019 0.1723 0.8898
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0078 0.2842
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Loa Loa (eye worm) hypothetical protein 0.0025 0.0072 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1937
Schistosoma mansoni microtubule-associated protein tau 0.0713 0.6961 0.8291
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.019 0.1723 0.8898
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0168 0.6414
Onchocerca volvulus 0.0149 0.1307 1
Brugia malayi MH1 domain containing protein 0.0028 0.0094 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0258 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Brugia malayi MH2 domain containing protein 0.005 0.0319 0.0373
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0029 0.0028
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0258 0.3896
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0145 0.0707
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0258 0.3896
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0168 0.6414
Schistosoma mansoni Smad4 0.005 0.0319 0.0373
Schistosoma mansoni hypothetical protein 0.0083 0.0648 0.0765
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.008 0.2946
Loa Loa (eye worm) hypothetical protein 0.0179 0.1612 0.1914
Echinococcus granulosus microtubule associated protein 2 0.0713 0.6961 0.6959
Echinococcus multilocularis tumor protein p63 0.1016 1 1
Giardia lamblia GTOR 0.0044 0.0258 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0042
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0258 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.008 0.2946
Mycobacterium tuberculosis Probable oxidoreductase 0.0211 0.1935 1
Echinococcus multilocularis smad 0.005 0.0319 0.0313
Loa Loa (eye worm) hypothetical protein 0.0028 0.0094 0.0105
Schistosoma mansoni lamin 0.0055 0.0366 0.0429
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0006 0.0095
Schistosoma mansoni smad 0.005 0.0319 0.0373
Mycobacterium tuberculosis Probable dehydrogenase 0.019 0.1723 0.8898
Treponema pallidum NADH oxidase 0.0029 0.0106 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0258 0.3896
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0106 0.3976
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0258 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1937
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0258 0.3954
Loa Loa (eye worm) glutathione reductase 0.0083 0.0652 0.077
Echinococcus multilocularis musashi 0.0055 0.0366 0.036
Schistosoma mansoni smad 0.0022 0.0041 0.0042
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0083 0.0652 0.3349
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0168 0.2576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0168 0.2504
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0262 0.2443 0.2905
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0211 0.1935 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0106 0.163
Brugia malayi MH2 domain containing protein 0.0022 0.0041 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0022 0.0041 0.0042
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0258 0.0252
Schistosoma mansoni hypothetical protein 0.0083 0.0648 0.0765
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0106 0.1549
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0006 0.0095
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Plasmodium vivax thioredoxin reductase, putative 0.0083 0.0652 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0106 1
Schistosoma mansoni tar DNA-binding protein 0.0856 0.8394 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Brugia malayi MH1 domain containing protein 0.005 0.0319 0.0373
Brugia malayi Calcitonin receptor-like protein seb-1 0.0262 0.2443 0.2905
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0258 0.03
Echinococcus granulosus lamin 0.0055 0.0366 0.036
Schistosoma mansoni intermediate filament proteins 0.0055 0.0366 0.0429
Schistosoma mansoni tar DNA-binding protein 0.0856 0.8394 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.008 0.2946
Loa Loa (eye worm) hypothetical protein 0.0055 0.0366 0.0429
Schistosoma mansoni Smad4 0.0022 0.0041 0.0042
Schistosoma mansoni cellular tumor antigen P53 0.0149 0.1307 0.1551
Trypanosoma cruzi trypanothione reductase, putative 0.0083 0.0652 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0262 0.2443 0.2905
Schistosoma mansoni tar DNA-binding protein 0.0856 0.8394 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.0648 0.0765
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Brugia malayi Latrophilin receptor protein 2 0.0083 0.0648 0.0765
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0319 0.0373
Schistosoma mansoni Smad4 0.0022 0.0041 0.0042
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0106 0.0519
Echinococcus granulosus mothers against decapentaplegic 6 0.0022 0.0041 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0856 0.8394 1
Trypanosoma brucei trypanothione reductase 0.0083 0.0652 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0319 0.0313
Loa Loa (eye worm) transcription factor SMAD2 0.0735 0.7185 0.8559
Brugia malayi MH1 domain containing protein 0.0028 0.0094 0.0105
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0082 0.0076
Echinococcus multilocularis mothers against decapentaplegic 2 0.0022 0.0041 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Schistosoma mansoni hypothetical protein 0.0083 0.0648 0.0765
Plasmodium falciparum thioredoxin reductase 0.0083 0.0652 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Schistosoma mansoni lamin 0.0055 0.0366 0.0429
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0319 0.0313
Loa Loa (eye worm) MH1 domain-containing protein 0.0022 0.0041 0.0042
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0106 0.1549
Brugia malayi MH2 domain containing protein 0.0735 0.7185 0.8559
Echinococcus granulosus intermediate filament protein 0.0055 0.0366 0.036
Loa Loa (eye worm) Smad1 0.005 0.0319 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0025 0.0389
Schistosoma mansoni smad1 5 8 and 0.005 0.0319 0.0373
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0106 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0258 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.0319 0.0313
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0106 0.01
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.0648 0.0642
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0106 0.01
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0258 0.3896
Schistosoma mansoni hypothetical protein 0.0179 0.1612 0.1914
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0006 0.0095
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0319 0.0313
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0366 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0193 0.7437
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0145 0.5509
Loa Loa (eye worm) hypothetical protein 0.0149 0.1307 0.1551
Leishmania major trypanothione reductase 0.0083 0.0652 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0106 0.1549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0055 0.1923
Plasmodium falciparum glutathione reductase 0.0083 0.0652 1
Brugia malayi MH2 domain containing protein 0.005 0.0319 0.0373
Echinococcus multilocularis lamin dm0 0.0055 0.0366 0.036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0106 0.5
Toxoplasma gondii thioredoxin reductase 0.0083 0.0652 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0006 0.0095
Loa Loa (eye worm) hypothetical protein 0.0083 0.0648 0.0765
Echinococcus granulosus Smad4 0.005 0.0319 0.0313
Plasmodium vivax glutathione reductase, putative 0.0083 0.0652 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0095
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.0648 0.0765
Echinococcus multilocularis Smad4 0.005 0.0319 0.0313
Echinococcus multilocularis lamin 0.0055 0.0366 0.036
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0366 0.0429
Schistosoma mansoni smad1 5 8 and 0.005 0.0319 0.0373
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0029 0.0028
Brugia malayi TAR-binding protein 0.0856 0.8394 1
Echinococcus multilocularis tar DNA binding protein 0.0856 0.8394 0.8393
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.0648 0.0642
Brugia malayi glutathione reductase 0.0083 0.0652 0.077
Echinococcus granulosus mothers against decapentaplegic 2 0.0022 0.0041 0.0035
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0111 0.0125
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0258 0.3954
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0106 0.1549
Mycobacterium tuberculosis Putative ferredoxin reductase 0.019 0.1723 0.8898
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0319 0.0373
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0856 0.8394 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0113 0.423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0078 0.2842
Loa Loa (eye worm) nuclear factor I 0.0028 0.0094 0.0105

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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