Detailed information for compound 1396846

Basic information

Technical information
  • TDR Targets ID: 1396846
  • Name: 2-chloro-4-[2,5-dimethyl-3-[(2,4,6-trioxo-1-p henyl-1,3-diazinan-5-ylidene)methyl]pyrrol-1- yl]benzoic acid
  • MW: 463.87 | Formula: C24H18ClN3O5
  • H donors: 2 H acceptors: 5 LogP: 4.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)N(C(=O)/C/1=C/c1cc(n(c1C)c1ccc(c(c1)Cl)C(=O)O)C)c1ccccc1
  • InChi: 1S/C24H18ClN3O5/c1-13-10-15(14(2)27(13)17-8-9-18(23(31)32)20(25)12-17)11-19-21(29)26-24(33)28(22(19)30)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b19-11+
  • InChiKey: FHCKLYUFCPXINB-YBFXNURJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-4-[2,5-dimethyl-3-[(E)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
  • 2-chloro-4-[2,5-dimethyl-3-[(E)-(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
  • 2-chloro-4-[2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
  • 2-chloro-4-[2,5-dimethyl-3-[(E)-(2,4,6-trioxo-1-phenyl-5-hexahydropyrimidinylidene)methyl]-1-pyrrolyl]benzoic acid
  • 2-chloro-4-[2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyl-5-hexahydropyrimidinylidene)methyl]-1-pyrrolyl]benzoic acid
  • 2-chloro-4-[2,5-dimethyl-3-[(E)-(2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
  • 2-chloro-4-[2,5-dimethyl-3-[(2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
  • 2-chloro-4-{2,5-dimethyl-3-[(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
  • MLS001001248
  • SMR000497009

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Trypanosoma brucei gambiense phosphoglycerate kinase, putative No references
Trypanosoma brucei phosphoglycerate kinase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis PGKC, phosphoglycerate kinase C Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania donovani phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium knowlesi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium leprae Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
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 infantum phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii phosphoglycerate kinase PGKII Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium hominis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Treponema pallidum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium yoelii phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Chlamydia trachomatis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
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
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Entamoeba histolytica phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Giardia lamblia Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K00927 phosphoglycerate kinase [EC2.7.2.3], putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii phosphoglycerate kinase PGKI Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum Phosphoglycerate kinase (EC 2.7.2.3), related Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium parvum phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Babesia bovis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium vivax phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
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
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Leishmania major DNA polymerase eta, putative 0.0072 0.1298 0.1735
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Brugia malayi polk-prov protein 0.0045 0.0168 0.0242
Echinococcus multilocularis phosphoglycerate kinase 1 0.0206 0.6951 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0114 0.0004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0114 0.0164
Schistosoma mansoni DNA polymerase eta 0.0072 0.1298 0.1867
Trypanosoma brucei phosphoglycerate kinase 0.0075 0.1463 0.1973
Echinococcus granulosus phosphoglycerate kinase 1 0.0206 0.6951 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.6951 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0114 0.0164
Loa Loa (eye worm) hypothetical protein 0.0043 0.0114 0.0164
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0114 0.0114
Plasmodium falciparum phosphoglycerate kinase 0.0206 0.6951 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.1463 0.1976
Echinococcus multilocularis dna polymerase kappa 0.0073 0.1355 0.1949
Loa Loa (eye worm) hypothetical protein 0.0043 0.0114 0.0164
Leishmania major phosphoglycerate kinase B, cytosolic 0.0206 0.6951 1
Trypanosoma brucei DNA polymerase eta, putative 0.0072 0.1298 0.1732
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.1355 0.1818
Loa Loa (eye worm) beta-lactamase 0.0043 0.0114 0.0164
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0114 0.0004
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0206 0.6951 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0114 0.0114
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.6951 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0114 0.0164
Leishmania major phosphoglycerate kinase C, glycosomal 0.0206 0.6951 1
Echinococcus granulosus dna polymerase kappa 0.0073 0.1355 0.1949
Entamoeba histolytica phosphoglycerate kinase, putative 0.0206 0.6951 1
Treponema pallidum phosphoglycerate kinase 0.0206 0.6951 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0073 0.1355 0.1815
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0114 0.0114
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.6951 1
Plasmodium vivax phosphoglycerate kinase, putative 0.0206 0.6951 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.6951 1
Echinococcus granulosus dna polymerase eta 0.0072 0.1298 0.1867
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.1463 0.1976
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0206 0.6951 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Onchocerca volvulus 0.0043 0.0114 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0114 0.0114
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0114 0.0114
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0114 0.0004
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0073 0.1355 0.1815
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0114 0.0164
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0168 0.008
Loa Loa (eye worm) hypothetical protein 0.0072 0.1298 0.1867
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0206 0.6951 0.6951
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0114 0.0114
Leishmania major DNA polymerase kappa, putative 0.0049 0.0336 0.0329
Mycobacterium tuberculosis Conserved protein 0.0043 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0043 0.0114 0.0164
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0114 0.0114
Mycobacterium tuberculosis Conserved protein 0.0043 0.0114 0.0114
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0114 0.0164
Trypanosoma brucei phosphoglycerate kinase, putative 0.0075 0.1463 0.1973
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0114 0.0164
Loa Loa (eye worm) hypothetical protein 0.0045 0.0168 0.0242
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Trypanosoma brucei unspecified product 0.0065 0.1019 0.1324
Onchocerca volvulus 0.0043 0.0114 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.1355 0.1818
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0336 0.0325
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0049 0.0336 0.0336
Mycobacterium ulcerans DNA polymerase IV 0.0073 0.1355 0.1815
Brugia malayi ImpB/MucB/SamB family protein 0.0072 0.1298 0.1867
Brugia malayi Phosphoglycerate kinase 0.0075 0.1463 0.2104
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0168 0.008
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0206 0.6951 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.1463 0.1976
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.6951 1
Leishmania major hypothetical protein, conserved 0.0043 0.0114 0.0004
Mycobacterium ulcerans phosphoglycerate kinase 0.0206 0.6951 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.1355 0.1818
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.6951 1
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0075 0.1463 0.1976
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.6951 1
Mycobacterium ulcerans DNA polymerase IV 0.0073 0.1355 0.1815
Loa Loa (eye worm) hypothetical protein 0.0043 0.0114 0.0164
Trypanosoma brucei DNA polymerase IV, putative 0.0065 0.1019 0.1324
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0114 0.0164
Chlamydia trachomatis phosphoglycerate kinase 0.0206 0.6951 0.5
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.6951 1
Giardia lamblia Phosphoglycerate kinase 0.0206 0.6951 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.1463 0.1976
Brugia malayi beta-lactamase family protein 0.0043 0.0114 0.0164
Mycobacterium tuberculosis Conserved protein 0.0043 0.0114 0.0114
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.6951 1
Brugia malayi beta-lactamase 0.0043 0.0114 0.0164
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.1355 0.1818
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.1463 0.1976
Onchocerca volvulus 0.0043 0.0114 0.5
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0206 0.6951 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0114 0.0164
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.1355 0.1815
Loa Loa (eye worm) hypothetical protein 0.0043 0.0114 0.0164
Echinococcus multilocularis dna polymerase eta 0.0072 0.1298 0.1867
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.1355 0.1815
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0049 0.0336 0.0329
Brugia malayi Phosphoglycerate kinase 0.0206 0.6951 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0072 0.1298 0.1735
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.1355 0.1815

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
IC50 (functional) 63.73 uM PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] ChEMBL. No reference
Potency (functional) = 0.631 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
Potency (functional) 10 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 Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 33.8078 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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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