Detailed information for compound 1297343

Basic information

Technical information
  • TDR Targets ID: 1297343
  • Name: 3-furan-2-yl-4-methyl-5-(phenylmethylsulfanyl )-1,2,4-triazole
  • MW: 271.338 | Formula: C14H13N3OS
  • H donors: 0 H acceptors: 2 LogP: 2.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(SCc2ccccc2)nnc1c1ccco1
  • InChi: 1S/C14H13N3OS/c1-17-13(12-8-5-9-18-12)15-16-14(17)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
  • InChiKey: UVLSYWPTIHNSLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-furyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole
  • 3-(2-furyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole
  • 3-(benzylthio)-5-(2-furyl)-4-methyl-1,2,4-triazole
  • ZINC00412785
  • BAS 04210627
  • 3-Benzylsulfanyl-5-furan-2-yl-4-methyl-4H-[1,2,4]triazole
  • MLS000856680
  • SMR000278625
  • ST5082440

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0099 0.0888 0.0956
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0256 0.0052
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0113 0.0092
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1329 0.1302
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0034 0.0208 0.0232
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0034 0.0208 0.0198
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0916 0.934 1
Loa Loa (eye worm) hypothetical protein 0.0352 0.3506 0.39
Giardia lamblia Kinase, PLK 0.0383 0.3824 0.396
Echinococcus granulosus hexokinase 0.0483 0.4863 0.5392
Brugia malayi MH2 domain containing protein 0.0024 0.0113 0.0126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0353 0.036
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0383 0.3824 0.3805
Brugia malayi latrophilin 2 splice variant baaae 0.0241 0.2353 0.2616
Entamoeba histolytica hypothetical protein 0.0043 0.031 0.0148
Onchocerca volvulus 0.0303 0.2999 0.6116
Trypanosoma brucei hexokinase, putative 0.0483 0.4863 0.5392
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.1832 0.2038
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.007
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.027 0.2651 0.8743
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0484 0.1511
Echinococcus granulosus RUN 0.002 0.0062 0.0035
Entamoeba histolytica hypothetical protein 0.0043 0.031 0.0148
Brugia malayi hypothetical protein 0.002 0.0062 0.007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.031 0.0311
Schistosoma mansoni serine/threonine protein kinase 0.0383 0.3824 0.4233
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0113 0.0126
Trypanosoma cruzi hexokinase, putative 0.0483 0.4863 0.5392
Trypanosoma cruzi hypothetical protein, conserved 0.0862 0.8788 0.9773
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0256 0.0242
Brugia malayi RNA recognition motif domain containing protein 0.019 0.1832 0.2038
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0882 0.8992 1
Entamoeba histolytica hexokinase 2 0.0483 0.4863 0.678
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0497 0.5008 0.557
Schistosoma mansoni phosphomannomutase 0.0085 0.074 0.0791
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0383 0.3824 0.4233
Brugia malayi MH1 domain containing protein 0.0024 0.0113 0.0126
Leishmania major macrophage migration inhibitory factor-like protein 0.0697 0.7074 0.7859
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0697 0.7074 0.7565
Echinococcus multilocularis hexokinase 0.0483 0.4863 0.4847
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0497 0.5008 0.5465
Brugia malayi MH2 domain containing protein 0.0359 0.3577 0.3979
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0882 0.8992 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0352 0.3506 0.39
Loa Loa (eye worm) hypothetical protein 0.015 0.1414 0.1573
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0882 0.8992 1
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0497 0.5008 0.557
Brugia malayi hypothetical protein 0.0043 0.031 0.0345
Loa Loa (eye worm) latrophilin receptor protein 2 0.0111 0.1014 0.1127
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0383 0.3824 0.4253
Brugia malayi hypothetical protein 0.002 0.0062 0.007
Trypanosoma brucei hexokinase 0.0483 0.4863 0.5392
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0297 0.2937 0.3267
Leishmania major macrophage migration inhibitory factor-like protein 0.0697 0.7074 0.7859
Schistosoma mansoni loxhd1 0.002 0.0062 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0353 0.036
Echinococcus granulosus 6 phosphogluconolactonase 0.0034 0.0208 0.0198
Schistosoma mansoni smad1 5 8 and 0.0024 0.0113 0.0092
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0497 0.5008 0.5347
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0292 0.2886 0.3186
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0031 0.0035
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0882 0.8992 1
Schistosoma mansoni hypothetical protein 0.0111 0.1014 0.1097
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1329 0.1478
Toxoplasma gondii hexokinase 0.0483 0.4863 0.519
Onchocerca volvulus 0.0483 0.4863 1
Loa Loa (eye worm) transcription factor SMAD2 0.0359 0.3577 0.3979
Onchocerca volvulus Serine\/threonine kinase homolog 0.0383 0.3824 0.7837
Schistosoma mansoni kinase 0.0195 0.1875 0.2058
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0292 0.0092
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0111 0.1014 0.1097
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0916 0.934 1
Schistosoma mansoni rab6-interacting 0.002 0.0062 0.0035
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Brugia malayi MH1 domain containing protein 0.0024 0.0113 0.0126
Onchocerca volvulus 0.0483 0.4863 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0353 0.0393
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0697 0.7074 0.7518
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0113 0.0126
Trypanosoma cruzi hypothetical protein, conserved 0.0862 0.8788 0.9773
Leishmania major hexokinase, putative 0.0483 0.4863 0.5392
Mycobacterium ulcerans hypothetical protein 0.0099 0.0888 0.0774
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0062 0.0034
Echinococcus multilocularis Smad4 0.0024 0.0113 0.0082
Leishmania major phosphomannomutase, putative 0.0085 0.074 0.0791
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0113 0.0082
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0497 0.5008 0.4993
Echinococcus granulosus citrate lyase subunit beta protein 0.0099 0.0888 0.0956
Schistosoma mansoni hypothetical protein 0.002 0.0062 0.0035
Trypanosoma brucei hexokinase 0.0483 0.4863 0.5392
Loa Loa (eye worm) hypothetical protein 0.0026 0.0132 0.0147
Brugia malayi Hexokinase family protein 0.0303 0.2999 0.3335
Echinococcus multilocularis hexokinase 0.0483 0.4863 0.4847
Entamoeba histolytica phosphomannose isomerase, putative 0.0497 0.5008 0.6992
Trypanosoma cruzi polo-like protein kinase, putative 0.0383 0.3824 0.4233
Loa Loa (eye worm) glutaminase 2 0.0556 0.5621 0.6252
Onchocerca volvulus 0.0483 0.4863 1
Toxoplasma gondii phosphomannomutase 0.0085 0.074 0.0761
Schistosoma mansoni polycystin 1-related 0.002 0.0062 0.0035
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0062 0.0032
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0882 0.8992 1
Loa Loa (eye worm) hexokinase 0.0303 0.2999 0.3335
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0099 0.0888 0.0774
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0062 0.0035
Echinococcus multilocularis phosphomannomutase 0.0085 0.074 0.0711
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0031 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0353 0.036
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.031 0.028
Giardia lamblia Macrophage migration inhibitory factor 0.0697 0.7074 0.7518
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0132 0.0108
Trypanosoma cruzi hexokinase, putative 0.0483 0.4863 0.5392
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0697 0.7074 0.7565
Echinococcus granulosus hexokinase 0.0483 0.4863 0.5392
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0292 0.028
Brugia malayi phosphomannomutase 2 0.0085 0.074 0.0822
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0062 0.0034
Echinococcus multilocularis tar DNA binding protein 0.019 0.1832 0.1807
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Trichomonas vaginalis phosphomannomutase, putative 0.0085 0.074 0.0582
Mycobacterium tuberculosis Conserved protein 0.0099 0.0888 0.286
Schistosoma mansoni smad 0.0024 0.0113 0.0092
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0111 0.1014 0.1097
Schistosoma mansoni tar DNA-binding protein 0.019 0.1832 0.201
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0113 0.0082
Schistosoma mansoni Smad4 0.0024 0.0113 0.0092
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0132 0.0113
Loa Loa (eye worm) phosphomannomutase 2 0.0085 0.074 0.0822
Trichomonas vaginalis CAMK family protein kinase 0.019 0.1822 0.1768
Brugia malayi glucose-6-phosphate dehydrogenase 0.0882 0.8992 1
Loa Loa (eye worm) hypothetical protein 0.033 0.3272 0.3639
Trichomonas vaginalis CAMK family protein kinase 0.019 0.1822 0.1768
Trichomonas vaginalis glutaminase, putative 0.0556 0.5621 0.5928
Echinococcus granulosus GPCR family 2 0.0111 0.1014 0.1097
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0099 0.0888 0.0744
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Brugia malayi Bm-MIF-1, identical 0.0697 0.7074 0.7867
Brugia malayi hypothetical protein 0.015 0.1414 0.1573
Plasmodium falciparum hexokinase 0.0483 0.4863 0.519
Schistosoma mansoni tar DNA-binding protein 0.019 0.1832 0.201
Brugia malayi MH2 domain containing protein 0.0024 0.0113 0.0126
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0916 0.934 1
Trypanosoma brucei phosphomannose isomerase 0.0497 0.5008 0.5555
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0484 0.0505
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0132 0.0113
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0916 0.934 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0383 0.3824 0.4233
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0517 0.5217 0.5787
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0497 0.5008 0.557
Onchocerca volvulus Putative phosphomannomutase 0.0085 0.074 0.141
Schistosoma mansoni rab6-interacting 0.002 0.0062 0.0035
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0099 0.0888 0.0774
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0034 0.0208 0.0198
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0497 0.5008 0.5347
Schistosoma mansoni smad1 5 8 and 0.0024 0.0113 0.0092
Loa Loa (eye worm) hypothetical protein 0.0154 0.1451 0.1613
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0306 0.3028 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0484 0.0505
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0062 0.0035
Brugia malayi Calcitonin receptor-like protein seb-1 0.0352 0.3506 0.39
Echinococcus granulosus tar DNA binding protein 0.019 0.1832 0.201
Loa Loa (eye worm) TAR-binding protein 0.019 0.1832 0.2038
Onchocerca volvulus 0.015 0.1414 0.2816
Leishmania major 6-phosphogluconolactonase 0.0034 0.0208 0.0198
Schistosoma mansoni mannose-6-phosphate isomerase 0.0497 0.5008 0.5555
Trypanosoma cruzi polo-like protein kinase, putative 0.0383 0.3824 0.4233
Brugia malayi 6-phosphogluconolactonase family protein 0.0034 0.0208 0.0232
Onchocerca volvulus Hexokinase homolog 0.0303 0.2999 0.6116
Schistosoma mansoni hypothetical protein 0.0241 0.2353 0.2591
Trypanosoma cruzi phosphomannose isomerase, putative 0.0497 0.5008 0.5555
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0353 0.036
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0099 0.0888 0.0956
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0497 0.5008 0.557
Schistosoma mansoni lipoxygenase 0.0082 0.0707 0.0754
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0353 0.036
Plasmodium vivax phosphomannomutase, putative 0.0085 0.074 0.0761
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0132 0.0108
Schistosoma mansoni hypothetical protein 0.0111 0.1014 0.1097
Brugia malayi glutaminase DH11.1 0.0556 0.5621 0.6252
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0353 0.0393
Echinococcus multilocularis hexokinase type 2 0.0483 0.4863 0.4847
Trypanosoma brucei glucosamine-6-phosphate isomerase, putative 0.0034 0.0208 0.0198
Loa Loa (eye worm) MH2 domain-containing protein 0.0359 0.3577 0.3979
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0517 0.5217 0.5787
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0062 0.0032
Brugia malayi hexokinase type II 0.0154 0.1451 0.1613
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0062 0.0035
Leishmania major hypothetical protein, conserved 0.0517 0.5217 0.5787
Schistosoma mansoni hypothetical protein 0.0111 0.1014 0.1097
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0111 0.1014 0.1127
Brugia malayi Doublecortin family protein 0.002 0.0062 0.007
Trypanosoma brucei phosphomannomutase 0.0085 0.074 0.0791
Schistosoma mansoni 6-phosphogluconolactonase 0.0034 0.0208 0.0198
Trypanosoma brucei polo-like protein kinase 0.0383 0.3824 0.4233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0353 0.0323
Leishmania major hypothetical protein, conserved 0.0862 0.8788 0.9773
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0034 0.0208 0.0198
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0576 0.5824 0.6223
Trypanosoma cruzi phosphomannomutase, putative 0.0085 0.074 0.0791
Echinococcus granulosus smad 0.0024 0.0113 0.0092
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0099 0.0888 0.0956
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0882 0.8992 0.8989
Echinococcus multilocularis RUN 0.002 0.0062 0.0032
Schistosoma mansoni hypothetical protein 0.0043 0.031 0.0311
Brugia malayi Hexokinase family protein 0.0149 0.1408 0.1566
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0111 0.1014 0.0986
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.007
Plasmodium falciparum phosphomannomutase, putative 0.0085 0.074 0.0761
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0882 0.8992 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0292 0.028
Loa Loa (eye worm) hypothetical protein 0.0241 0.2353 0.2616
Brugia malayi hypothetical protein 0.0026 0.0132 0.0147
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0113 0.0092
Schistosoma mansoni glucosamine-6-phosphate isomerase 0.0034 0.0208 0.0198
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0297 0.2937 0.3267
Schistosoma mansoni hexokinase 0.0483 0.4863 0.5392
Loa Loa (eye worm) hexokinase 0.0149 0.1408 0.1566
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Entamoeba histolytica hypothetical protein 0.0043 0.031 0.0148
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0111 0.1014 0.0986
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0113 0.0092
Schistosoma mansoni smad1 5 8 and 0.0024 0.0113 0.0092
Echinococcus multilocularis 6 phosphogluconolactonase 0.0034 0.0208 0.0178
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0484 0.0314
Echinococcus multilocularis GPCR, family 2 0.0111 0.1014 0.0986
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1329 0.1449
Leishmania major phosphomannose isomerase 0.0497 0.5008 0.5555
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0697 0.7074 0.7867
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0228 0.2217 0.2926
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0352 0.3506 0.39
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.1072 0.1161
Brugia malayi isocitrate dehydrogenase 0.0017 0.0031 0.0035
Echinococcus multilocularis hexokinase 0.0483 0.4863 0.4847
Brugia malayi serine/threonine-protein kinase plk-2 0.0383 0.3824 0.4253
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.1288 0.1403
Leishmania major hypothetical protein, conserved 0.0026 0.0132 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Schistosoma mansoni tar DNA-binding protein 0.019 0.1832 0.201
Leishmania major glucosamine-6-phosphate isomerase, putative 0.0034 0.0208 0.0198
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.1072 0.1044
Treponema pallidum hexokinase (hxk) 0.0483 0.4863 0.5299
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0256 0.0069
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0292 0.0291
Loa Loa (eye worm) hexokinase 0.0483 0.4863 0.5408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0353 0.0323
Echinococcus granulosus phosphomannomutase 0.0085 0.074 0.0791
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0882 0.8992 1
Schistosoma mansoni glutaminase 0.0556 0.5621 0.6239
Brugia malayi Smad1 0.0024 0.0113 0.0126
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.027 0.2651 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0484 0.0454
Loa Loa (eye worm) hexokinase 0.0483 0.4863 0.5408
Brugia malayi Latrophilin receptor protein 2 0.0111 0.1014 0.1127
Trypanosoma cruzi phosphomannose isomerase, putative 0.0497 0.5008 0.5555
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0132 0.0108
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0292 0.0092
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0484 0.0505
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0882 0.8992 1
Leishmania major hexokinase, putative 0.0483 0.4863 0.5392
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0292 0.028
Trypanosoma brucei 6-phosphogluconolactonase 0.0034 0.0208 0.0198
Brugia malayi hexokinase 0.0483 0.4863 0.5408
Plasmodium falciparum macrophage migration inhibitory factor 0.0697 0.7074 0.7565
Schistosoma mansoni 6-phosphogluconolactonase 0.0034 0.0208 0.0198
Loa Loa (eye worm) doublecortin family protein 0.002 0.0062 0.007
Trichomonas vaginalis CAMK family protein kinase 0.0383 0.3824 0.396
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0576 0.5824 0.6393
Echinococcus multilocularis citrate lyase subunit beta protein 0.0099 0.0888 0.086
Mycobacterium ulcerans hypothetical protein 0.0099 0.0888 0.0774
Trypanosoma brucei Putative Phosphatase/Protein of unknown function DUF89, putative 0.0517 0.5217 0.5787
Loa Loa (eye worm) hypothetical protein 0.0154 0.1451 0.1613
Brugia malayi RNA binding protein 0.019 0.1832 0.2038
Loa Loa (eye worm) hypothetical protein 0.0111 0.1014 0.1127
Loa Loa (eye worm) Smad1 0.0024 0.0113 0.0126
Loa Loa (eye worm) RNA binding protein 0.019 0.1832 0.2038
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0916 0.934 1
Loa Loa (eye worm) hexokinase type II 0.0483 0.4863 0.5408
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0062 0.0032
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0484 0.0486
Echinococcus granulosus Smad4 0.0024 0.0113 0.0092
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0132 0.0113
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0034 0.0208 0.0198
Plasmodium vivax hexokinase, putative 0.0483 0.4863 0.519
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0484 0.0505
Mycobacterium ulcerans glutaminase 0.0556 0.5621 0.6163
Schistosoma mansoni hypothetical protein 0.0111 0.1014 0.1097
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0916 0.934 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.1832 0.201
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0484 0.0314
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0132 0.0108
Echinococcus multilocularis smad 0.0024 0.0113 0.0082
Schistosoma mansoni tar DNA-binding protein 0.019 0.1832 0.201
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0484 0.0314
Loa Loa (eye worm) glutaminase 0.0556 0.5621 0.6252
Brugia malayi N-terminal motif family protein 0.0175 0.1676 0.1864
Toxoplasma gondii phosphomannose isomerase type I protein 0.0497 0.5008 0.5347
Trypanosoma brucei hypothetical protein, conserved 0.0862 0.8788 0.9773
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0099 0.0888 0.286
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0697 0.7074 1
Echinococcus granulosus hexokinase type 2 0.0483 0.4863 0.5392
Echinococcus granulosus hexokinase 0.0483 0.4863 0.5392
Brugia malayi Hexokinase family protein 0.0483 0.4863 0.5408
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.1676 0.3362
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0284 0.2798 0.3088
Entamoeba histolytica hexokinase 1 0.0483 0.4863 0.678
Entamoeba histolytica phosphomannomutase, putative 0.0085 0.074 0.0774
Trichomonas vaginalis conserved hypothetical protein 0.0697 0.7074 0.7518
Entamoeba histolytica hypothetical protein 0.0043 0.031 0.0148
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0099 0.0888 0.0774
Loa Loa (eye worm) hypothetical protein 0.0175 0.1676 0.1864
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0882 0.8992 1
Schistosoma mansoni lipoxygenase 0.0117 0.1072 0.1161
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0916 0.934 1
Brugia malayi TAR-binding protein 0.019 0.1832 0.2038
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0497 0.5008 0.5256
Brugia malayi hypothetical protein 0.0017 0.0036 0.0039
Entamoeba histolytica serine/threonine protein kinase, putative 0.0383 0.3824 0.5267
Loa Loa (eye worm) acetyltransferase 0.0142 0.1329 0.1478
Echinococcus granulosus mannose 6 phosphate isomerase 0.0497 0.5008 0.5555
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.031 0.0311

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3183 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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