Detailed information for compound 1428040

Basic information

Technical information
  • TDR Targets ID: 1428040
  • Name: 3-(phenylmethyl)-7-propyl-8-thiophen-2-ylpuri ne-2,6-dione
  • MW: 366.437 | Formula: C19H18N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccs1
  • InChi: 1S/C19H18N4O2S/c1-2-10-22-15-17(20-16(22)14-9-6-11-26-14)23(19(25)21-18(15)24)12-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H,21,24,25)
  • InChiKey: SAYLGLQLYLUPMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(phenylmethyl)-7-propyl-8-(2-thienyl)purine-2,6-dione
  • 3-(benzyl)-7-propyl-8-(2-thienyl)xanthine
  • 3-(phenylmethyl)-7-propyl-8-thiophen-2-yl-purine-2,6-dione
  • ZINC02626389
  • MLS000770762
  • SMR000343916

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0066 0.0057
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.1046 1
Schistosoma mansoni hypothetical protein 0.008 0.0504 0.134
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0051 0.0054
Echinococcus granulosus expressed conserved protein 0.0183 0.1258 0.3479
Echinococcus granulosus Protein patched homolog 1 0.0083 0.0526 0.1403
Echinococcus multilocularis sterol regulatory element binding protein 0.0083 0.0526 0.0843
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0435 0.1144
Echinococcus granulosus phd:f box containing protein 0.0019 0.0051 0.0054
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.0795 0.7526
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.0055 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Echinococcus multilocularis cpg binding protein 0.0037 0.0182 0.0255
Toxoplasma gondii hypothetical protein 0.0047 0.0259 0.0861
Giardia lamblia Telomerase catalytic subunit 0.0374 0.2667 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.0931 0.3412
Trypanosoma brucei trypanothione reductase 0.0047 0.026 0.0865
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2211 1
Schistosoma mansoni cpg binding protein 0.0035 0.0167 0.0383
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.2066 0.7721
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0051 0.0054
Schistosoma mansoni chromosome transmission fidelity factor 0.0019 0.0055 0.0064
Echinococcus granulosus cpg binding protein 0.0037 0.0182 0.0425
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.2066 0.7721
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0378 0.0522
Onchocerca volvulus 0.0058 0.0341 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0526 0.2268
Plasmodium vivax telomerase reverse transcriptase, putative 0.0374 0.2667 1
Echinococcus multilocularis muscleblind protein 0.018 0.1242 0.2064
Echinococcus granulosus tar DNA binding protein 0.0063 0.0378 0.0983
Echinococcus granulosus GPCR family 2 0.0031 0.0136 0.0296
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0197 0.1367 0.3789
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.026 0.0865
Leishmania major telomerase reverse transcriptase, putative 0.0374 0.2667 1
Schistosoma mansoni hypothetical protein 0.0066 0.0398 0.1038
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.026 0.0865
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.0707 0.6651
Echinococcus granulosus replication factor c subunit 1 0.0019 0.0055 0.0064
Plasmodium falciparum glutathione reductase 0.0047 0.026 0.0865
Plasmodium vivax replication factor C subunit 1, putative 0.0019 0.0055 0.0085
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.0623 0.086
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0378 0.0983
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.007
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0398 0.0549
Mycobacterium tuberculosis Probable reductase 0.0108 0.0707 0.6651
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0017
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0051 0.0054
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0051 0.0054
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0017
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0083 0.0526 0.22
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0374 0.2667 1
Brugia malayi DKFZp564C0469 protein 0.0019 0.0055 0.0075
Loa Loa (eye worm) hypothetical protein 0.0031 0.0136 0.0395
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0051 0.0032
Plasmodium falciparum replication factor C subunit 1, putative 0.0019 0.0055 0.0085
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2211 1
Echinococcus multilocularis protein patched 0.0083 0.0526 0.0843
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0055 0.0103
Echinococcus multilocularis expressed conserved protein 0.0183 0.1258 0.2091
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0051 0.0072
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0066 0.0095
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0167 0.0537
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0136 0.0178
Loa Loa (eye worm) RNA binding protein 0.0063 0.0378 0.1516
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.007
Echinococcus multilocularis muscleblind protein 1 0.018 0.1242 0.2064
Loa Loa (eye worm) hypothetical protein 0.0096 0.0623 0.2647
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0435 0.0688
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0374 0.2667 1
Echinococcus multilocularis nibrin 0.0019 0.0055 0.0038
Schistosoma mansoni cpg binding protein 0.0037 0.0182 0.0425
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2017 0.5637
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.045 0.1186
Echinococcus granulosus nibrin 0.0019 0.0055 0.0064
Echinococcus multilocularis Niemann Pick C1 protein 0.0194 0.1344 0.224
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.0707 0.6651
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.0623 0.086
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0136 0.0395
Brugia malayi topoisomerase 0.0019 0.0055 0.0075
Loa Loa (eye worm) hypothetical protein 0.018 0.1242 0.5512
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.0795 0.7526
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0396 0.1381
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0055 0.0103
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.026 0.0968
Brugia malayi RNA binding protein 0.0063 0.0378 0.0522
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.0707 0.6651
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.007
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0051 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.0055 0.0085
Plasmodium vivax glutathione reductase, putative 0.0047 0.026 0.0865
Echinococcus granulosus Niemann Pick C1 protein 0.0194 0.1344 0.3726
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2211 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0019 0.0055 0.0103
Echinococcus granulosus geminin 0.0164 0.1121 0.309
Chlamydia trachomatis DNA ligase 0.0019 0.0055 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0167 0.0231
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0435 0.0688
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0051 0.0072
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0136 0.0296
Plasmodium falciparum telomerase reverse transcriptase 0.0374 0.2667 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0019 0.0055 0.0222
Schistosoma mansoni topbp1 0.0019 0.0055 0.0064
Brugia malayi Thioredoxin reductase 0.0047 0.026 0.0359
Toxoplasma gondii RNA-directed DNA polymerase 0.0374 0.2667 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.045 0.1846
Schistosoma mansoni hypothetical protein 0.0494 0.3554 1
Schistosoma mansoni hypothetical protein 0.0031 0.0136 0.0296
Schistosoma mansoni cpg binding protein 0.0037 0.0182 0.0425
Schistosoma mansoni hypothetical protein 0.0164 0.1121 0.309
Plasmodium falciparum thioredoxin reductase 0.0047 0.026 0.0865
Echinococcus multilocularis replication factor c subunit 1 0.0019 0.0055 0.0038
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0019 0.0055 0.0085
Trypanosoma brucei telomerase reverse transcriptase 0.0374 0.2667 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0378 0.0983
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.2066 0.7721
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.026 0.0389
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.0931 0.3412
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0378 0.0983
Schistosoma mansoni hypothetical protein 0.0164 0.1121 0.309
Toxoplasma gondii ATPase, AAA family protein 0.0019 0.0055 0.0085
Brugia malayi hypothetical protein 0.0019 0.0055 0.0075
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0017
Leishmania major trypanothione reductase 0.0047 0.026 0.0865
Schistosoma mansoni hypothetical protein 0.0058 0.0341 0.0877
Brugia malayi hypothetical protein 0.0019 0.0055 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0055 0.0103
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.2211 0.3052
Loa Loa (eye worm) hypothetical protein 0.0083 0.0526 0.22
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1502 0.6744
Echinococcus granulosus muscleblind protein 0.018 0.1242 0.3434
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.0707 0.8802
Loa Loa (eye worm) hypothetical protein 0.0066 0.0398 0.1605
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.0795 1
Echinococcus granulosus Niemann Pick C1 protein 0.0278 0.1959 0.5472
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0136 0.0296
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0136 0.0178
Echinococcus multilocularis GPCR, family 2 0.0031 0.0136 0.0178
Leishmania major hypothetical protein, conserved 0.0019 0.0051 0.0072
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0051 0.0072
Schistosoma mansoni hypothetical protein 0.008 0.0504 0.134
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0019 0.0055 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0055 0.0103
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0019 0.0055 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2211 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1242 0.5512
Treponema pallidum DNA ligase (lig) 0.0019 0.0055 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0378 0.1516
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.142 0.1373
Trypanosoma cruzi FHA domain containing protein, putative 0.0019 0.0055 0.0085
Brugia malayi Muscleblind-like protein 0.018 0.1242 0.1714
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0051 0.0032
Schistosoma mansoni hypothetical protein 0.008 0.0504 0.134
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.0707 0.6651
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0435 0.1144
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.026 0.0647
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0051 0.0054
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0051 0.0072
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.0931 0.3412
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.045 0.1186
Brugia malayi jmjC domain containing protein 0.0073 0.045 0.0621
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.0707 0.6651
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0194 0.1344 1
Schistosoma mansoni hypothetical protein 0.0031 0.0136 0.0296
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0051 0.0054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.0623 0.2647
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0032 0.0044
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0051 0.0054
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.045 0.1186
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1502 0.6744
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0055 0.0103
Schistosoma mansoni DNA ligase IV 0.0019 0.0055 0.0064
Schistosoma mansoni survival motor neuron protein 0.0058 0.0341 0.0877
Brugia malayi TAR-binding protein 0.0063 0.0378 0.0522
Echinococcus multilocularis Niemann Pick C1 protein 0.0278 0.1959 0.3289
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0051 0.0032
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0017
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0019 0.0055 0.0000015894
Brugia malayi hypothetical protein 0.0286 0.2017 0.2785
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0341 0.047
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.0795 0.7526
Schistosoma mansoni hypothetical protein 0.0031 0.0136 0.0296
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2017 0.3388
Schistosoma mansoni hypothetical protein 0.0031 0.0136 0.0296
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0136 0.0188
Trichomonas vaginalis replication factor C large subunit, putative 0.0019 0.0055 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0378 0.0591
Echinococcus multilocularis geminin 0.0164 0.1121 0.1858
Echinococcus multilocularis protein dispatched 1 0.0095 0.0613 0.0992
Schistosoma mansoni patched 1 0.0083 0.0526 0.1403
Plasmodium vivax JmjC domain containing protein 0.0019 0.0051 0.0072
Onchocerca volvulus 0.0035 0.0167 0.0113
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0051 0.0032
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0214 0.0691
Brugia malayi CHE-14 protein 0.0083 0.0526 0.0726
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0214 0.0691
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0378 0.1516
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2211 1
Loa Loa (eye worm) hypothetical protein 0.0194 0.1344 0.5987
Schistosoma mansoni hypothetical protein 0.008 0.0504 0.134
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0281 0.0943
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.0055 0.0085
Mycobacterium ulcerans hypothetical protein 0.0154 0.1046 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0019 0.0055 0.0085
Brugia malayi Pax transcription activation domain interacting protein 0.0019 0.0055 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0378 0.0983
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.026 0.2247
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.142 0.6371
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0454 0.1197
Loa Loa (eye worm) hypothetical protein 0.0286 0.2017 0.9102
Brugia malayi Niemann-Pick C1 protein precursor 0.0194 0.1344 0.1856
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0214 0.0691
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0214 0.0691
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0136 0.0188
Brugia malayi jmjC domain containing protein 0.0071 0.0435 0.0601
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2211 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.026 0.0865
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3554 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3554 0.6011
Brugia malayi glutathione reductase 0.0047 0.026 0.0359
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0019 0.0055 0.0085
Loa Loa (eye worm) glutathione reductase 0.0047 0.026 0.0968
Brugia malayi Telomerase reverse transcriptase 0.0994 0.7244 1
Echinococcus granulosus sterol regulatory element binding protein 0.0083 0.0526 0.1403
Loa Loa (eye worm) hypothetical protein 0.0102 0.0665 0.2841
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0051 0.0072
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.0055 0.0103
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0051 0.0054
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0811 0.5891 1
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.2066 0.7721
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.2211 1
Schistosoma mansoni topbp1 0.0019 0.0055 0.0064
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0019 0.0055 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0378 0.0983
Brugia malayi jmjC domain containing protein 0.0019 0.0051 0.007
Giardia lamblia Replication factor C, subunit 1 0.0019 0.0055 0.0085

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] ChEMBL. No reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 12.5893 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 18.526 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) = 22.3872 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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