Detailed information for compound 1345751

Basic information

Technical information
  • TDR Targets ID: 1345751
  • Name: 4-[(5-furan-2-yl-4-phenyl-1,2,4-triazol-3-yl) sulfanylmethyl]pyridine
  • MW: 334.395 | Formula: C18H14N4OS
  • H donors: 0 H acceptors: 3 LogP: 3.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)n1c(SCc2ccncc2)nnc1c1ccco1
  • InChi: 1S/C18H14N4OS/c1-2-5-15(6-3-1)22-17(16-7-4-12-23-16)20-21-18(22)24-13-14-8-10-19-11-9-14/h1-12H,13H2
  • InChiKey: GEJJPSVVUSHNMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
  • 4-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]pyridine
  • BIM-0043502.P001
  • ChemDiv1_028359
  • A2668/0113646
  • SMR000009487
  • 4-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-pyridine
  • MLS000035706
  • BAS 00728918
  • CBMicro_043426
  • ZINC00090807
  • MixCom6_000551

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0089 0.1013 0.0991
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0264 0.3204 0.682
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.012 0.0096
Trypanosoma cruzi cysteine peptidase, putative 0.0383 0.4698 0.41
Brugia malayi Cathepsin L-like precursor 0.0383 0.4698 0.4685
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0089 0.1013 0.2157
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0089 0.1013 0.0991
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0383 0.4698 0.4685
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0089 0.1013 0.2157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.1013 0.2157
Trypanosoma cruzi cruzipain precursor, putative 0.0383 0.4698 0.41
Brugia malayi cathepsin Z-like cysteine proteinase 0.0089 0.1013 0.0991
Trypanosoma cruzi cysteine protease, putative 0.0208 0.2507 0.1662
Plasmodium falciparum cysteine proteinase falcipain 3 0.0383 0.4698 1
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0741 0.0873
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0806 1 1
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Loa Loa (eye worm) hypothetical protein 0.0089 0.1013 0.0991
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0089 0.1013 0.0991
Loa Loa (eye worm) hypothetical protein 0.0806 1 1
Brugia malayi intermediate filament protein 0.0033 0.031 0.0286
Onchocerca volvulus Cathepsin F homolog 0.0383 0.4698 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0383 0.4698 0.4685
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.082 0.0797
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6089 0.608
Echinococcus multilocularis cathepsin L 0.0089 0.1013 0.0991
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0417 0.0393
Echinococcus granulosus cathepsin l1 0.0264 0.3204 0.3187
Schistosoma mansoni cathepsin F (C01 family) 0.0383 0.4698 0.4685
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0089 0.1013 0.1501
Echinococcus multilocularis cathepsin L cysteine protease 0.0383 0.4698 0.4685
Loa Loa (eye worm) hypothetical protein 0.0037 0.0363 0.0339
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0208 0.2507 0.2489
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Trypanosoma cruzi cysteine proteinase, putative 0.0208 0.2507 0.1662
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Plasmodium vivax vivapain-3 0.0208 0.2507 0.4946
Echinococcus granulosus GPCR family 2 0.0019 0.014 0.0116
Schistosoma mansoni cathepsin S (C01 family) 0.0089 0.1013 0.0991
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0089 0.1013 0.0991
Echinococcus multilocularis cathepsin L 0.0208 0.2507 0.2489
Giardia lamblia Cathepsin B precursor 0.0311 0.3793 1
Onchocerca volvulus 0.0037 0.0363 0.0121
Echinococcus granulosus cathepsin L 0.0208 0.2507 0.2489
Entamoeba histolytica cysteine proteinase, putative 0.0383 0.4698 1
Brugia malayi Cathepsin L-like precursor 0.0264 0.3204 0.3187
Echinococcus multilocularis musashi 0.0033 0.031 0.0286
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.014 0.0116
Toxoplasma gondii cathepsin B 0.0311 0.3793 0.7912
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0656 0.0633
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0119 0.1395 0.1374
Loa Loa (eye worm) cathepsin B 0.0311 0.3793 0.3777
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1708 0.1687
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0089 0.1013 0.1501
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0383 0.4698 1
Onchocerca volvulus 0.0035 0.0336 0.006
Trichomonas vaginalis set domain proteins, putative 0.0287 0.3495 0.7439
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.1013 0.2157
Plasmodium vivax unspecified product 0.0089 0.1013 0.1501
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Toxoplasma gondii cathepsin CPL 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0383 0.4698 1
Onchocerca volvulus 0.0089 0.1013 0.1604
Onchocerca volvulus 0.0383 0.4698 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.014 0.0116
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0053 0.0028
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0089 0.1013 0.2157
Onchocerca volvulus 0.0264 0.3204 0.6596
Echinococcus multilocularis cathepsin b 0.0806 1 1
Brugia malayi Pre-SET motif family protein 0.0037 0.0363 0.0339
Loa Loa (eye worm) hypothetical protein 0.0383 0.4698 0.4685
Entamoeba histolytica cysteine proteinase, putative 0.0208 0.2507 0.4054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.014 0.0116
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Trypanosoma cruzi cysteine peptidase, putative 0.0119 0.1395 0.0425
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.1013 0.0991
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1013 0.2157
Echinococcus granulosus lamin 0.0033 0.031 0.0286
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0053 0.0028
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Echinococcus granulosus cathepsin b 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.1013 0.0991
Brugia malayi cathepsin L-like precursor 0.0264 0.3204 0.3187
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1708 0.1687
Brugia malayi Cathepsin L-like precursor 0.0383 0.4698 0.4685
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0089 0.1013 0.1501
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.082 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.082 0.0797
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.082 0.5
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0089 0.1013 0.1501
Trypanosoma cruzi cruzipain precursor, putative 0.0119 0.1395 0.0425
Loa Loa (eye worm) hypothetical protein 0.0041 0.0417 0.0393
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.082 0.5
Loa Loa (eye worm) hypothetical protein 0.0264 0.3204 0.3187
Brugia malayi cathepsin F-like cysteine proteinase 0.0089 0.1013 0.0991
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0089 0.1013 0.0991
Echinococcus granulosus cysteine protease 0.0208 0.2507 0.2489
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0089 0.1013 0.1501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.1013 0.2157
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0089 0.1013 0.0991
Toxoplasma gondii cathepsin CPC1 0.0089 0.1013 0.1501
Brugia malayi fibroinase precursor 0.0089 0.1013 0.0991
Echinococcus multilocularis GPCR, family 2 0.0019 0.014 0.0116
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0383 0.4698 0.4685
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Onchocerca volvulus 0.0287 0.3495 0.7258
Schistosoma mansoni cpg binding protein 0.0037 0.0361 0.0337
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.014 0.0116
Trypanosoma cruzi cysteine peptidase, putative 0.0208 0.2507 0.1662
Entamoeba histolytica cysteine proteinase 2 0.0208 0.2507 0.4054
Schistosoma mansoni cathepsin s 0.0119 0.1395 0.1374
Onchocerca volvulus 0.0383 0.4698 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0089 0.1013 0.0991
Loa Loa (eye worm) hypothetical protein 0.0089 0.1013 0.0991
Brugia malayi Cathepsin L-like precursor 0.0119 0.1395 0.1374
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.012 0.0096
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.082 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0806 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.014 0.0116
Trypanosoma cruzi cysteine peptidase, putative 0.0383 0.4698 0.41
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.031 0.0286
Brugia malayi CXXC zinc finger family protein 0.0035 0.0336 0.0312
Brugia malayi Cathepsin L-like precursor 0.0383 0.4698 0.4685
Schistosoma mansoni cathepsin F (C01 family) 0.0383 0.4698 0.4685
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0089 0.1013 0.1501
Brugia malayi Cathepsin L-like precursor 0.0383 0.4698 0.4685
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.082 0.0797
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0089 0.1013 0.0991
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.031 0.0286
Echinococcus multilocularis cysteine protease 0.0383 0.4698 0.4685
Entamoeba histolytica cysteine proteinase, putative 0.0208 0.2507 0.4054
Echinococcus granulosus lamin dm0 0.0033 0.031 0.0286
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Brugia malayi Cathepsin L-like precursor 0.0383 0.4698 0.4685
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0656 0.0633
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0806 1 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.1013 0.0991
Schistosoma mansoni cathepsin C 0.0089 0.1013 0.0991
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0806 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.1013 0.2157
Loa Loa (eye worm) intermediate filament protein 0.0033 0.031 0.0286
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.082 0.0797
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.084 0.0817
Onchocerca volvulus 0.0383 0.4698 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0026 0.0001
Schistosoma mansoni hypothetical protein 0.0041 0.0417 0.0393
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0363 0.0339
Entamoeba histolytica cysteine proteinase, putative 0.0208 0.2507 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0363 0.0339
Schistosoma mansoni cpg binding protein 0.0035 0.0336 0.0312
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0089 0.1013 0.0991
Schistosoma mansoni hypothetical protein 0.0494 0.6089 0.608
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0383 0.4698 1
Loa Loa (eye worm) fibroinase 0.0383 0.4698 0.4685
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0363 0.0339
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0363 0.0339
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0383 0.4698 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0361 0.0337
Echinococcus granulosus intermediate filament protein 0.0033 0.031 0.0286
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0337 0.0313
Echinococcus granulosus cathepsin L cysteine proteinase 0.0383 0.4698 0.4685
Plasmodium vivax serine-repeat antigen (SERA) 0.0089 0.1013 0.1501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.1013 0.2157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Plasmodium vivax unspecified product 0.0208 0.2507 0.4946
Brugia malayi cathepsin L precursor 0.0089 0.1013 0.0991
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0806 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0098 0.0074
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.1013 0.0991
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0089 0.1013 0.0991
Loa Loa (eye worm) hypothetical protein 0.0033 0.031 0.0286
Loa Loa (eye worm) hypothetical protein 0.0264 0.3204 0.3187
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0089 0.1013 0.1501
Echinococcus multilocularis lamin 0.0033 0.031 0.0286
Brugia malayi Cathepsin L-like precursor 0.0264 0.3204 0.3187
Brugia malayi cathepsin L-like cysteine proteinase 0.0089 0.1013 0.0991
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0119 0.1395 0.1374
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0089 0.1013 0.1501
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.1013 0.0991
Loa Loa (eye worm) hypothetical protein 0.006 0.0656 0.0633
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0089 0.1013 0.0991
Echinococcus granulosus cathepsin b 0.0806 1 1
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Toxoplasma gondii cathepsin CPC2 0.0089 0.1013 0.1501
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0208 0.2507 0.2489
Schistosoma mansoni lamin 0.0033 0.031 0.0286
Loa Loa (eye worm) hypothetical protein 0.0032 0.0302 0.0278
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0089 0.1013 0.2157
Onchocerca volvulus Cathepsin L homolog 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0026 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0311 0.3793 0.8073
Onchocerca volvulus 0.0383 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.1395 0.1374
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0089 0.1013 0.1501
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0116
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0208 0.2507 0.2489
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.014 0.0116
Brugia malayi Cathepsin L-like cysteine proteinase 0.0264 0.3204 0.3187
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0311 0.3793 0.7666
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0089 0.1013 0.1604
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0383 0.4698 0.4685
Echinococcus granulosus cathepsin L cysteine protease 0.0208 0.2507 0.2489
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0089 0.1013 0.0991
Echinococcus granulosus cathepsin l1 0.0383 0.4698 0.4685
Onchocerca volvulus Cathepsin L homolog 0.0383 0.4698 1
Plasmodium vivax unspecified product 0.0119 0.1395 0.2382
Loa Loa (eye worm) hypothetical protein 0.0264 0.3204 0.3187
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0656 0.0633
Echinococcus granulosus cathepsin L 0.0089 0.1013 0.0991
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0026 0.0001
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0089 0.1013 0.1501
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0311 0.3793 0.3777
Plasmodium falciparum cysteine proteinase falcipain 1 0.0208 0.2507 0.4054
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0363 0.0339
Giardia lamblia Cathepsin B precursor 0.0311 0.3793 1
Leishmania major cysteine peptidase A (CPA) 0.0383 0.4698 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0208 0.2507 0.4054
Onchocerca volvulus 0.0383 0.4698 1
Onchocerca volvulus 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0089 0.1013 0.2157
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0208 0.2507 0.1662
Trypanosoma brucei cysteine peptidase C (CPC) 0.0311 0.3793 0.5868
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Echinococcus multilocularis lamin dm0 0.0033 0.031 0.0286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Schistosoma mansoni lamin 0.0033 0.031 0.0286
Trypanosoma cruzi cysteine peptidase, putative 0.0383 0.4698 0.41
Loa Loa (eye worm) cysteine protease 0.0383 0.4698 0.4685
Brugia malayi MH2 domain containing protein 0.0144 0.1708 0.1687
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Giardia lamblia Cathepsin B precursor 0.0311 0.3793 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0089 0.1013 0.2157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0089 0.1013 0.2157
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0026 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0208 0.2507 0.5337
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0383 0.4698 1
Echinococcus multilocularis cathepsin b 0.0806 1 1
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Schistosoma mansoni cpg binding protein 0.0037 0.0361 0.0337
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0098 0.0074
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0383 0.4698 0.4685
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0311 0.3793 0.3093
Loa Loa (eye worm) hypothetical protein 0.0015 0.0091 0.0067
Brugia malayi Latrophilin receptor protein 2 0.0019 0.014 0.0116
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0051 0.0026
Entamoeba histolytica cysteine protease, putative 0.0383 0.4698 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0383 0.4698 0.4685
Entamoeba histolytica cysteine proteinase, putative 0.0264 0.3204 0.5946
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0089 0.1013 0.1501
Plasmodium vivax vivapain-2 0.0383 0.4698 1
Brugia malayi Papain family cysteine protease containing protein 0.0208 0.2507 0.2489
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0116
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0089 0.1013 0.2157
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.306 0.3042
Brugia malayi Papain family cysteine protease containing protein 0.0383 0.4698 0.4685
Trichomonas vaginalis conserved hypothetical protein 0.0089 0.1013 0.2157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0089 0.1013 0.2157
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0089 0.1013 0.2157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.1013 0.0991
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0264 0.3204 0.682
Trypanosoma cruzi cysteine peptidase, putative 0.0383 0.4698 0.41
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6089 0.608
Plasmodium vivax vivapain-2 0.0383 0.4698 1
Plasmodium vivax vivapain-1 0.0208 0.2507 0.4946
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0089 0.1013 0.2157
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.014 0.0116
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Onchocerca volvulus 0.0383 0.4698 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0089 0.1013 0.0991
Leishmania major cathepsin L-like protease 0.0383 0.4698 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0026 0.0001
Trypanosoma cruzi cysteine proteinase, putative 0.0208 0.2507 0.1662
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.1395 0.1374
Schistosoma mansoni cathepsin B (C01 family) 0.0089 0.1013 0.0991
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0363 0.0339
Brugia malayi Papain family cysteine protease containing protein 0.0208 0.2507 0.2489
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0208 0.2507 0.5337
Loa Loa (eye worm) hypothetical protein 0.0089 0.1013 0.0991
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.1395 0.1374
Schistosoma mansoni intermediate filament proteins 0.0033 0.031 0.0286
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Echinococcus multilocularis cysteine protease 0.0383 0.4698 0.4685
Plasmodium vivax serine-repeat antigen (SERA) 0.0089 0.1013 0.1501
Loa Loa (eye worm) hypothetical protein 0.0015 0.0091 0.0067
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.082 0.1055
Loa Loa (eye worm) ctsf protein 0.0383 0.4698 0.4685
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0098 0.0074
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0116
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0336 0.0312
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0363 0.0339
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0116
Echinococcus granulosus cpg binding protein 0.0037 0.0361 0.0337
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0383 0.4698 1
Entamoeba histolytica cysteine protease, putative 0.0208 0.2507 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0119 0.1395 0.1374
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0383 0.4698 1
Brugia malayi Pre-SET motif family protein 0.0252 0.306 0.3042
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0264 0.3204 0.2438
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0089 0.1013 0.0991
Entamoeba histolytica cysteine proteinase, putative 0.0208 0.2507 0.4054
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0053 0.0028
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0383 0.4698 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0089 0.1013 0.2157
Schistosoma mansoni cathepsin F (C01 family) 0.0264 0.3204 0.3187
Brugia malayi Cathepsin L-like precursor 0.0383 0.4698 0.4685

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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