Detailed information for compound 1308580

Basic information

Technical information
  • TDR Targets ID: 1308580
  • Name: 6-ethyl-N-methyl-2-[(4-pyrrolidin-1-ylsulfony lbenzoyl)amino]-5,7-dihydro-4H-thieno[5,4-c]p yridine-3-carboxamide
  • MW: 476.612 | Formula: C22H28N4O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCc2c(C1)sc(c2C(=O)NC)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
  • InChi: 1S/C22H28N4O4S2/c1-3-25-13-10-17-18(14-25)31-22(19(17)21(28)23-2)24-20(27)15-6-8-16(9-7-15)32(29,30)26-11-4-5-12-26/h6-9H,3-5,10-14H2,1-2H3,(H,23,28)(H,24,27)
  • InChiKey: KNHOBPRLUCGWAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-ethyl-N-methyl-2-[[oxo-(4-1-pyrrolidinylsulfonylphenyl)methyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • 6-ethyl-N-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • Oprea1_628280

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microphthalmia-associated transcription factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis transcription factor eb Get druggable targets OG5_133408 All targets in OG5_133408
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein Get druggable targets OG5_133408 All targets in OG5_133408
Brugia malayi Helix-loop-helix DNA-binding domain containing protein Get druggable targets OG5_133408 All targets in OG5_133408
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133408 All targets in OG5_133408
Echinococcus granulosus transcription factor eb Get druggable targets OG5_133408 All targets in OG5_133408
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 9.144 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 9.144 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 9.144 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] 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) 10.4179 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) 14.7157 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) 18.3564 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) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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
Potency (functional) = 70.7946 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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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