Detailed information for compound 1279370

Basic information

Technical information
  • TDR Targets ID: 1279370
  • Name: 5-[(3,4-dimethoxyphenyl)methyl]-1-prop-2-enyl -1,3-diazinane-2,4,6-trione
  • MW: 318.325 | Formula: C16H18N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1C(=O)NC(=O)C(C1=O)Cc1ccc(c(c1)OC)OC
  • InChi: 1S/C16H18N2O5/c1-4-7-18-15(20)11(14(19)17-16(18)21)8-10-5-6-12(22-2)13(9-10)23-3/h4-6,9,11H,1,7-8H2,2-3H3,(H,17,19,21)
  • InChiKey: NNMGFXIYGXIDHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-allyl-5-[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidine-2,4,6-trione
  • 1-allyl-5-(3,4-dimethoxybenzyl)barbituric acid
  • Oprea1_423511
  • 1-Allyl-5-(3,4-dimethoxy-benzyl)-pyrimidine-2,4,6-trione
  • BAS 04242010
  • A2810/0118828
  • EU-0019766
  • 1-allyl-5-(3,4-dimethoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • MLS000099363
  • SMR000071511

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
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 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia DNA damage repair protein 0.0014 0.0073 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Echinococcus multilocularis dna polymerase eta 0.0077 0.1918 0.3395
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0975 1
Brugia malayi hypothetical protein 0.0148 0.3988 0.4274
Trypanosoma brucei unspecified product 0.0032 0.0592 0.281
Trichomonas vaginalis glutaminase, putative 0.033 0.933 0.9323
Echinococcus granulosus dna polymerase eta 0.0077 0.1918 0.3395
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.1016 0.511
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0706 0.0757
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0073 0.0751
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0706 0.125
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.032 0.0343
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4705 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0706 0.125
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1016 0.511
Loa Loa (eye worm) RecQ helicase 0.0029 0.0499 0.0535
Loa Loa (eye worm) glutaminase 2 0.033 0.933 1
Echinococcus granulosus geminin 0.0205 0.565 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0706 0.0757
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.1016 0.0922
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Loa Loa (eye worm) hypothetical protein 0.0014 0.0073 0.0079
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0499 0.0884
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.1016 0.1798
Echinococcus granulosus bloom syndrome protein 0.0029 0.0499 0.0884
Onchocerca volvulus Huntingtin homolog 0.0148 0.3988 0.4476
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0592 0.281
Leishmania major DNA polymerase eta, putative 0.0077 0.1918 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1016 0.511
Brugia malayi polk-prov protein 0.0014 0.0073 0.0079
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1016 0.511
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.1016 0.1798
Giardia lamblia DINP protein human, muc B family 0.0047 0.1016 0.1016
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1016 0.1018
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1016 0.511
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.1016 0.1089
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1016 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Schistosoma mansoni glutaminase 0.033 0.933 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8038 0.8018
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.1016 0.1089
Echinococcus granulosus dna polymerase kappa 0.0047 0.1016 0.1798
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0975 0.489
Schistosoma mansoni DNA polymerase eta 0.0077 0.1918 0.2056
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0103 0.0162
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.1016 0.1089
Leishmania major DNA polymerase kappa, putative 0.0047 0.1016 0.511
Onchocerca volvulus Huntingtin homolog 0.0148 0.3988 0.4476
Loa Loa (eye worm) hypothetical protein 0.0036 0.0706 0.0757
Schistosoma mansoni DNA polymerase IV / kappa 0.0014 0.0073 0.0079
Echinococcus multilocularis geminin 0.0205 0.565 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.3988 0.4274
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.1016 0.1089
Trypanosoma brucei unspecified product 0.0047 0.1016 0.511
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4705 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0217 0.2226
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0667 0.1181
Schistosoma mansoni hypothetical protein 0.0205 0.565 0.6056
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0706 0.0757
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.1918 0.2056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0706 0.0757
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4705 0.5004
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0396 1
Brugia malayi Pre-SET motif family protein 0.0251 0.702 0.7524
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1016 0.1018
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0499 0.04
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0224 0.2379
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0499 0.04
Onchocerca volvulus 0.0286 0.8038 1
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1016 0.511
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0706 0.125
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Leishmania major DNA polymerase eta, putative 0.0045 0.0975 0.489
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0103 0.0162
Mycobacterium ulcerans glutaminase 0.033 0.933 1
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.1918 0.2056
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.00000000015983 0.0000000016385
Brugia malayi glutaminase DH11.1 0.033 0.933 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.3929 0.421
Schistosoma mansoni hypothetical protein 0.0205 0.565 0.6056
Loa Loa (eye worm) hypothetical protein 0.0148 0.3988 0.4274
Loa Loa (eye worm) glutaminase 0.033 0.933 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0592 0.281
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0706 0.724
Plasmodium falciparum DNA repair protein REV1, putative 0.0014 0.0073 0.1851
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.1918 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.1016 0.0922
Echinococcus multilocularis dna polymerase kappa 0.0047 0.1016 0.1798
Brugia malayi Pre-SET motif family protein 0.0036 0.0706 0.0757
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0014 0.0073 0.0751
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.1016 0.0922
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.1918 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1016 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0592 0.281
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.702 0.7524
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0103 0.0162
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0499 0.0535
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trypanosoma brucei unspecified product 0.0032 0.0592 0.281
Plasmodium vivax SET domain protein, putative 0.0036 0.0706 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1016 0.511

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 12.5893 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) 15.003 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8114 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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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) 30.1313 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 33.8078 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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