Detailed information for compound 1294321

Basic information

Technical information
  • TDR Targets ID: 1294321
  • Name: [2-(cyclopropylmethyl)-7-methyl-6,8-dioxo-3-t hiophen-3-ylisoquinolin-7-yl] cyclopentanecar boxylate
  • MW: 423.525 | Formula: C24H25NO4S
  • H donors: 0 H acceptors: 3 LogP: 4.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCC1)OC1(C)C(=O)C=c2c(C1=O)cn(c(c2)c1cscc1)CC1CC1
  • InChi: 1S/C24H25NO4S/c1-24(29-23(28)16-4-2-3-5-16)21(26)11-18-10-20(17-8-9-30-14-17)25(12-15-6-7-15)13-19(18)22(24)27/h8-11,13-16H,2-7,12H2,1H3
  • InChiKey: PYJMKMJZXYZBRG-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • [2-(cyclopropylmethyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate
  • cyclopentanecarboxylic acid [2-(cyclopropylmethyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] ester
  • cyclopentanecarboxylic acid [2-(cyclopropylmethyl)-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester
  • [2-(cyclopropylmethyl)-7-methyl-6,8-dioxo-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate
  • NCGC00162812-01
  • CMLD003524
  • MLS000438617
  • SMR000452668

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Plasmodium berghei glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania donovani glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma congolense glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans likely glucose-6-phosphate dehydrogenase similar to S. cerevisiae ZWF1 (YNL241C) Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania infantum glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii Glucose-6-phosphate dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Babesia bovis glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Get druggable targets OG5_127121 All targets in OG5_127121
Plasmodium berghei glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Theileria parva glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium knowlesi glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis 6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania braziliensis glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania mexicana glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Treponema pallidum glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans likely glucose-6-phosphate dehydrogenase similar to S. cerevisiae ZWF1 (YNL241C) Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma japonicum ko:K00036 glucose-6-phosphate 1-dehydrogenase [EC1.1.1.49], putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Neospora caninum Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49), related Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49), related Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dna polymerase eta 0.0021 0.0025 0.0025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0314 0.112
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1885 0.5711
Schistosoma mansoni hypothetical protein 0.0347 0.403 0.403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0314 0.0314
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0123 0.1273 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0136 0.0273
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.064 0.064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0314 0.112
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0327 0.0743
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0612 0.0612
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Loa Loa (eye worm) hypothetical protein 0.0033 0.0175 0.0625
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.0696 0.248
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0025 0.0025
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0612 0.0612
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0025 0.0214
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0273 0.0972
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1885 0.5711
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0612 0.218
Echinococcus multilocularis chromobox protein 1 0.0076 0.0696 0.0696
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0507 0.1806
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0113 0.115 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0036 0.0212 0.1846
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Echinococcus granulosus GPCR family 2 0.0019 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.006 0.0507 0.1806
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0136 0.0273
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0113 0.115 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0314 0.0314
Echinococcus multilocularis geminin 0.0347 0.403 0.403
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0025 0.0025
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0025 0.0088
Schistosoma mansoni chromobox protein 0.0076 0.0696 0.0696
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0288 0.1026
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0288 0.0646
Treponema pallidum hypothetical protein 0.0286 0.3281 0.7221
Echinococcus granulosus chromobox protein 1 0.0076 0.0696 0.0696
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0696 0.1647
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0612 0.218
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0039 0.0247 0.0683
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0025 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0612 0.0612
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0123 0.1273 0.3063
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0001 0.0005
Trypanosoma brucei unspecified product 0.0021 0.0025 0.0214
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0113 0.115 0.115
Loa Loa (eye worm) RNA binding protein 0.0069 0.0612 0.218
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0314 0.0314
Schistosoma mansoni hypothetical protein 0.0041 0.0273 0.0273
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0612 0.0612
Brugia malayi glucose-6-phosphate dehydrogenase 0.0113 0.115 0.4099
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0001 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0314 0.0314
Schistosoma mansoni DNA polymerase eta 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0041 0.0273 0.0972
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0612 0.0612
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0025 0.0214
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0025 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0612 0.0612
Echinococcus granulosus tar DNA binding protein 0.0069 0.0612 0.0612
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0025 0.0025
Brugia malayi Heterochromatin protein 1 0.0076 0.0696 0.248
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0123 0.1273 0.3881
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0037 0.0226 0.1962
Schistosoma mansoni hypothetical protein 0.0347 0.403 0.403
Echinococcus granulosus dna polymerase eta 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0088
Schistosoma mansoni chromobox protein 0.0076 0.0696 0.0696
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0025 0.0214
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0001 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.064 0.064
Brugia malayi RNA binding protein 0.0069 0.0612 0.218
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0123 0.1273 0.3063
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0288 0.7399
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0507 0.1806
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0123 0.1273 0.3063
Leishmania major DNA polymerase eta, putative 0.0021 0.0025 0.0214
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0612 0.218
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0314 0.0314
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0113 0.115 0.4099
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0001 0.0001
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0286 0.3281 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0992 0.3536
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0992 0.2373
Brugia malayi jmjC domain containing protein 0.0071 0.064 0.2279
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.2806 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.064 0.2279
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0113 0.115 0.3456
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0286 0.3281 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0286 0.3281 1
Brugia malayi jmjC domain containing protein 0.0071 0.064 0.2279
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0113 0.115 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4101 1
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0074 0.0671 0.1983
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0025 0.0214
Schistosoma mansoni hypothetical protein 0.0019 0.0001 0.0001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0025 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0025 0.0088
Echinococcus granulosus chromobox protein 1 0.0076 0.0696 0.0696
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.064 0.064
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.064 0.064
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.064 0.064
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0314 0.0314
Brugia malayi MH2 domain containing protein 0.0247 0.2806 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0001 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0001 0.0005
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0696 0.1647
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Leishmania major DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Echinococcus multilocularis chromobox protein 1 0.0076 0.0696 0.0696
Brugia malayi TAR-binding protein 0.0069 0.0612 0.218
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0286 0.3281 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0001 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0314 0.0314
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0286 0.3281 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0123 0.1273 0.3881
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0025 0.0214
Schistosoma mansoni jumonji domain containing protein 0.0071 0.064 0.064
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0288 0.0646
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0327 0.0743
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0113 0.115 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4101 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0992 0.2373
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0113 0.115 0.115
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0113 0.115 0.115
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0327 1
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.2806 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0507 0.1806
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0123 0.1273 0.3063
Loa Loa (eye worm) hypothetical protein 0.0019 0.0001 0.0005
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0074 0.0671 0.5266
Echinococcus multilocularis GPCR, family 2 0.0019 0.0001 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0025 0.0214
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.064 0.064
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4101 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4101 1
Echinococcus granulosus geminin 0.0347 0.403 0.403
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4101 1
Brugia malayi chromobox protein homolog 3 0.0042 0.0288 0.1026
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0025 0.0214
Echinococcus granulosus dna polymerase kappa 0.0021 0.0025 0.0025

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.8 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) = 64.3 uM PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
Potency (functional) = 0.2506 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 0.5 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.9811 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.3091 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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