Detailed information for compound 898735

Basic information

Technical information
  • TDR Targets ID: 898735
  • Name: N-methyl-6-propan-2-yl-2-[(4-pyrrolidin-1-yls ulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[5 ,4-c]pyridine-3-carboxamide
  • MW: 490.639 | Formula: C23H30N4O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c1CCN(C2)C(C)C
  • InChi: 1S/C23H30N4O4S2/c1-15(2)26-13-10-18-19(14-26)32-23(20(18)22(29)24-3)25-21(28)16-6-8-17(9-7-16)33(30,31)27-11-4-5-12-27/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,29)(H,25,28)
  • InChiKey: CCQRWHIHDOBVCL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-isopropyl-N-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • 6-isopropyl-N-methyl-2-[[oxo-(4-1-pyrrolidinylsulfonylphenyl)methyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • N-methyl-6-propan-2-yl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • Oprea1_019390

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus muscleblind 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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0179 0.1927 0.2305
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0494 0.0494
Onchocerca volvulus 0.0043 0.0293 0.4343
Loa Loa (eye worm) hypothetical protein 0.0043 0.0293 0.0293
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0055 0.0431 0.0431
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0055 0.0431 0.0431
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0055 0.0431 0.0431
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0125 0.1267 0.1267
Schistosoma mansoni cpg binding protein 0.0037 0.0212 0.0212
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0431 0.0142
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0293 0.0293
Entamoeba histolytica protein kinase rad3, putative 0.0161 0.1706 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.013 0.1337 0.1337
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.0431 0.0431
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0055 0.0431 0.0142
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0286 0.3201 0.3201
Trichomonas vaginalis conserved hypothetical protein 0.0179 0.1927 0.1683
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0055 0.0431 0.0431
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0055 0.0431 0.0431
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0161 0.1706 0.1455
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0286 0.3201 0.2996
Trichomonas vaginalis PIKK family atypical protein kinase 0.0851 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0459 0.5286 0.5143
Leishmania major phosphatidylinositol kinase, putative 0.0055 0.0431 0.0142
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0431 0.0194
Schistosoma mansoni fkbp-rapamycin associated protein 0.0161 0.1706 0.1706
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0055 0.0431 0.0142
Brugia malayi beta-lactamase family protein 0.0043 0.0293 0.0293
Plasmodium vivax hypothetical protein, conserved 0.0055 0.0431 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0677 0.7907 0.7844
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.5294 0.5152
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0293 0.0293
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0655 0.0655
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0354 0.402 0.3839
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0055 0.0431 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0286 0.3201 0.3201
Echinococcus granulosus geminin 0.0205 0.2229 0.2229
Onchocerca volvulus 0.0055 0.0431 1
Echinococcus granulosus serine protein kinase ATM 0.0161 0.1706 0.1706
Echinococcus multilocularis 0.0055 0.0431 0.0431
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0431 0.0431
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0851 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0055 0.0431 0.0431
Toxoplasma gondii FATC domain-containing protein 0.0161 0.1706 0.1993
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0286 0.3201 0.2996
Schistosoma mansoni cpg binding protein 0.0037 0.0212 0.0212
Brugia malayi CXXC zinc finger family protein 0.0035 0.0188 0.0188
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0851 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0431 0.0194
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0055 0.0431 0.0431
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0293 0.0293
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0293 0.0293
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.5883 0.5759
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0459 0.5286 0.5143
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0431 0.0142
Leishmania major hypothetical protein, conserved 0.0055 0.0431 0.0142
Toxoplasma gondii target of rapamycin (TOR), putative 0.0633 0.7379 1
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0055 0.0431 0.5
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0055 0.0431 0.0142
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0055 0.0431 0.0431
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0851 1 1
Onchocerca volvulus 0.0055 0.0431 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0431 0.0431
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0161 0.1706 0.1706
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.3201 0.2996
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0161 0.1706 0.1455
Brugia malayi FAT domain containing protein 0.0125 0.1267 0.1267
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0055 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.018 0.1938 0.1938
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0125 0.1267 0.1267
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0055 0.0431 0.0431
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0293 0.5
Onchocerca volvulus 0.0043 0.0293 0.4343
Loa Loa (eye worm) hypothetical protein 0.0043 0.0293 0.0293
Echinococcus granulosus cpg binding protein 0.0037 0.0212 0.0212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0851 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0678 0.7915 0.7852
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.2516 0.2289
Echinococcus multilocularis geminin 0.0205 0.2229 0.2229
Loa Loa (eye worm) hypothetical protein 0.0043 0.0293 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0851 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0055 0.0431 0.0431
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0161 0.1706 0.1706
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.1267 0.1003
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0055 0.0431 0.5
Leishmania major phosphatidylinositol kinase related protein, putative 0.0055 0.0431 0.0142
Brugia malayi Muscleblind-like protein 0.018 0.1938 0.1938
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0055 0.0431 0.0142
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0431 0.0142
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0293 0.0293
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0055 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.006 0.0494 0.0494
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0851 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0851 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0055 0.0431 0.0431
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0431 0.0194
Loa Loa (eye worm) beta-lactamase 0.0043 0.0293 0.0293
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0678 0.7915 0.7852
Trichomonas vaginalis PIKK family atypical protein kinase 0.0161 0.1706 0.1455
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.6632 0.6531
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0055 0.0431 0.0142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0161 0.1706 0.1706
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0161 0.1706 0.1706
Leishmania major hypothetical protein, unknown function 0.0055 0.0431 0.0142
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0431 0.0142
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0161 0.1706 0.1332
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0055 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0125 0.1267 0.1267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0677 0.7907 0.7844
Loa Loa (eye worm) hypothetical protein 0.0043 0.0293 0.0293
Leishmania major phosphatidylinositol 3-kinase, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0055 0.0431 0.0142
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0161 0.1706 0.1455
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.5294 0.5152
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.013 0.1329 0.1329
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.0431 0.0431
Schistosoma mansoni hypothetical protein 0.0041 0.0266 0.0266
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Onchocerca volvulus 0.0043 0.0293 0.4343
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0106 0.1046 0.0775
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0851 1 1
Mycobacterium leprae conserved hypothetical protein 0.0055 0.0431 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0055 0.0431 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.5823 0.5696
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0431 0.0142
Mycobacterium ulcerans lipase LipD 0.0043 0.0293 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0459 0.5286 0.5143
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0055 0.0431 0.0431
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.1046 0.0775
Echinococcus multilocularis transcription factor eb 0.013 0.1337 0.1337
Brugia malayi beta-lactamase 0.0043 0.0293 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.5883 0.5759
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0161 0.1706 0.1706
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0161 0.1706 0.1455
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0055 0.0431 0.0142
Schistosoma mansoni hypothetical protein 0.0125 0.1267 0.1267
Trypanosoma cruzi target of rapamycin kinase 3 0.0678 0.7915 0.7852
Loa Loa (eye worm) hypothetical protein 0.0041 0.0266 0.0266
Schistosoma mansoni cpg binding protein 0.0035 0.0188 0.0188
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.056 0.0377
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0055 0.0431 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0055 0.0431 0.0142
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0431 0.0431
Mycobacterium ulcerans hypothetical protein 0.0043 0.0293 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2229 0.2229
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0851 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0055 0.0431 0.0431
Plasmodium vivax hypothetical protein 0.0055 0.0431 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0293 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.3201 0.2996
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0286 0.3201 0.2996
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.5883 0.5759
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.3201 0.2996
Mycobacterium tuberculosis Conserved hypothetical protein 0.0055 0.0431 0.0489
Loa Loa (eye worm) hypothetical protein 0.0179 0.1927 0.1927
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0851 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0055 0.0431 0.0431
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0851 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.3201 0.2996
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0055 0.0431 0.0431
Brugia malayi beta-lactamase family protein 0.0043 0.0293 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0677 0.7907 0.7844
Echinococcus granulosus muscleblind protein 0.018 0.1938 0.1938
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0286 0.3201 0.2996
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0161 0.1706 0.1455
Loa Loa (eye worm) phosphatidylinositol kinase 0.0055 0.0431 0.0431
Leishmania major phosphatidylinositol 4-kinase, putative 0.0055 0.0431 0.0142
Mycobacterium ulcerans beta-lactamase 0.0043 0.0293 0.5
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0286 0.3201 0.3201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0494 0.0494
Echinococcus multilocularis serine protein kinase ATM 0.0161 0.1706 0.1706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.3201 0.2996
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3108 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.5823 0.5696
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0431 0.0142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0293 0.0293
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0055 0.0431 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0266 0.0266
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0055 0.0431 0.0142
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0431 0.0194
Loa Loa (eye worm) hypothetical protein 0.013 0.1329 0.1329
Trichomonas vaginalis PIKK family atypical protein kinase 0.0553 0.6411 0.6303
Schistosoma mansoni hypothetical protein 0.0205 0.2229 0.2229
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0161 0.1706 0.1706
Schistosoma mansoni hypothetical protein 0.0055 0.0431 0.0431
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0286 0.3201 0.3201
Loa Loa (eye worm) hypothetical protein 0.0106 0.1046 0.1046
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0431 0.0142
Leishmania major phosphatidylinositol 3-kinase, putative 0.0286 0.3201 0.2996
Echinococcus multilocularis cpg binding protein 0.0037 0.0212 0.0212
Giardia lamblia GTOR 0.0851 1 1
Echinococcus multilocularis muscleblind protein 0.018 0.1938 0.1938
Loa Loa (eye worm) phosphatidylinositol 3 0.0851 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0055 0.0431 0.0142
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0851 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0055 0.0431 0.0142
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0286 0.3201 0.2996
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0727 0.8504 0.8459
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0055 0.0431 0.0142
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0293 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0431 0.0431
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0055 0.0431 0.0142
Loa Loa (eye worm) hypothetical protein 0.0055 0.0431 0.0431
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0403 0.4609 0.4446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0677 0.7907 0.7844
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0431 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.1046 0.0775
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0188 0.0188
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0055 0.0431 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0494 0.0494
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0055 0.0431 0.0142
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.018 0.1938 0.1938
Echinococcus multilocularis muscleblind protein 1 0.018 0.1938 0.1938
Echinococcus granulosus transcription factor eb 0.013 0.1337 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0633 0.7379 0.73
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.5294 0.5152
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.0431 0.0431
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0851 1 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0055 0.0431 0.0431
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0055 0.0431 0.0194
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0286 0.3201 0.3201
Loa Loa (eye worm) hypothetical protein 0.0174 0.1856 0.1856
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0055 0.0431 0.0142
Entamoeba histolytica hypothetical protein 0.0161 0.1706 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.5294 0.5152
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0055 0.0431 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0677 0.7907 0.7844
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0055 0.0431 0.0431
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0055 0.0431 0.0431

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 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 (binding) = 7.0795 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 (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) 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) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 89.1251 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

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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