Detailed information for compound 699792

Basic information

Technical information
  • TDR Targets ID: 699792
  • Name: N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4 -morpholin-4-ylsulfonylbenzamide
  • MW: 463.934 | Formula: C21H22ClN3O5S
  • H donors: 1 H acceptors: 4 LogP: 1.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CC(CC1=O)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C21H22ClN3O5S/c22-16-3-5-18(6-4-16)25-14-17(13-20(25)26)23-21(27)15-1-7-19(8-2-15)31(28,29)24-9-11-30-12-10-24/h1-8,17H,9-14H2,(H,23,27)
  • InChiKey: FTJUAZLUJXBAEA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(4-chlorophenyl)-5-oxo-pyrrolidin-3-yl]-4-morpholinosulfonyl-benzamide
  • N-[1-(4-chlorophenyl)-5-oxo-3-pyrrolidinyl]-4-morpholinosulfonylbenzamide
  • N-[1-(4-chlorophenyl)-5-keto-pyrrolidin-3-yl]-4-morpholinosulfonyl-benzamide
  • N-[1-(4-chlorophenyl)-5-oxo-pyrrolidin-3-yl]-4-morpholin-4-ylsulfonyl-benzamide
  • G856-7549
  • NCGC00136760-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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 cruzi prolyl-tRNA synthetase, putative 0.0026 0.0535 1
Trichomonas vaginalis glucose transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Giardia lamblia Hexose transporter 0.001 0.0154 0.346
Echinococcus granulosus calcium dependent protein kinase 0.0021 0.0421 0.0421
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0014 0.0243 0.615
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0154 0.0249
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0154 0.0249
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0026 0.0535 1
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0014 0.0243 0.5469
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.001 0.0154 0.3892
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0026 0.0535 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0026 0.0535 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0687 0.3996
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.1719 0.279
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0016 0.0304 0.7702
Plasmodium falciparum lysine--tRNA ligase 0.0016 0.0304 0.0399
Trichomonas vaginalis myo-inositol transporter, putative 0.001 0.0154 0.0249
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0395 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0395 0.0518
Loa Loa (eye worm) hypothetical protein 0.0023 0.0455 0.0843
Echinococcus granulosus solute carrier family 22 0.001 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trypanosoma brucei glucose transporter 2A 0.0023 0.0463 0.8651
Trypanosoma brucei glucose transporter 1E 0.0023 0.0463 0.8651
Echinococcus multilocularis Sugar transporter ERD6 protein 0.001 0.0154 0.0154
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trypanosoma cruzi hexose transporter, putative 0.001 0.0154 0.2874
Brugia malayi Major Facilitator Superfamily protein 0.001 0.0154 0.0284
Onchocerca volvulus 0.0032 0.0687 0.0888
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0022 0.0444 0.0721
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Mycobacterium ulcerans integral membrane transport protein 0.001 0.0154 0.3892
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.001 0.0154 0.0894
Onchocerca volvulus 0.006 0.1376 0.2035
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Chlamydia trachomatis proline--tRNA ligase 0.0008 0.0091 0.2978
Giardia lamblia Prolyl-tRNA synthetase 0.0022 0.0444 1
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0022 0.0444 0.0822
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0023 0.0455 0.0843
Trichomonas vaginalis sugar transport protein, putative 0.001 0.0154 0.0249
Toxoplasma gondii sugar transporter ST2 0.001 0.0154 0.0305
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Schistosoma mansoni lysyl-tRNA synthetase 0.0016 0.0304 0.1769
Loa Loa (eye worm) hypothetical protein 0.0032 0.0687 0.1272
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Schistosoma mansoni protein kinase 0.0023 0.0455 0.2648
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0395 0.0518
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.001 0.0154 0.3892
Leishmania major lysyl-tRNA synthetase, putative 0.0016 0.0304 0.5689
Plasmodium falciparum calcium-dependent protein kinase 4 0.0023 0.0456 0.0597
Trypanosoma cruzi hexose transporter, putative 0.0023 0.0463 0.8651
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Trypanosoma brucei sugar transporter, putative 0.001 0.0154 0.2874
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0395 0.7386
Schistosoma mansoni ap endonuclease 0.002 0.0395 0.2297
Echinococcus granulosus solute carrier family 22 0.001 0.0154 0.0154
Mycobacterium ulcerans sugar transporter 0.001 0.0154 0.3892
Plasmodium vivax calcium-dependent protein kinase, putative 0.0023 0.0456 0.0597
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0008 0.0091 0.2294
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0023 0.0455 0.0843
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0023 0.0455 0.8517
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0395 0.0731
Brugia malayi hypothetical protein 0.001 0.0154 0.0284
Plasmodium falciparum calcium-dependent protein kinase 2 0.0023 0.0456 0.0597
Schistosoma mansoni glucose transporter 0.001 0.0154 0.0894
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0395 0.8892
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0022 0.0444 0.0444
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0395 1
Entamoeba histolytica hypothetical protein 0.0016 0.0304 0.6679
Leishmania major hypothetical protein, conserved 0.001 0.0154 0.2874
Echinococcus granulosus solute carrier family 22 0.001 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0022 0.0444 0.0822
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0009 0.0122 0.0226
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.001 0.0154 0.0201
Toxoplasma gondii exonuclease III APE 0.002 0.0395 0.0783
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0023 0.0455 0.0455
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Plasmodium falciparum hexose transporter 0.0074 0.1719 0.2253
Giardia lamblia Sugar-proton symporter 0.001 0.0154 0.346
Brugia malayi lysyl-tRNA synthetase 0.0016 0.0304 0.0563
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Echinococcus multilocularis calcium dependent protein kinase 0.0021 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Echinococcus granulosus solute carrier family 22 0.001 0.0154 0.0154
Trypanosoma brucei THT1 - hexose transporter, putative 0.0023 0.0463 0.8651
Schistosoma mansoni glucose transport protein 0.0074 0.1719 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0395 0.7386
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0395 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1376 0.2548
Echinococcus granulosus synaptic vesicle 2 protein 0.001 0.0154 0.0154
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0023 0.0463 0.0751
Brugia malayi Sugar transporter family protein 0.0074 0.1719 0.3183
Brugia malayi Sugar transporter family protein 0.001 0.0154 0.0284
Plasmodium falciparum protein kinase 6 0.0312 0.763 1
Toxoplasma gondii protein kinase, putative 0.0208 0.5045 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0687 0.3996
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0026 0.0535 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0687 0.0687
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.0023 0.0463 0.0751
Brugia malayi Pre-SET motif family protein 0.0032 0.0687 0.1272
Loa Loa (eye worm) sugar transporter 0.0074 0.1719 0.3183
Plasmodium falciparum protein kinase 7 0.0208 0.5045 0.6612
Plasmodium vivax SET domain protein, putative 0.0032 0.0687 0.09
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0154 0.0249
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0455 0.0739
Trypanosoma brucei THT1 - hexose transporter, putative 0.0023 0.0463 0.8651
Schistosoma mansoni protein kinase 0.0023 0.0455 0.2648
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0023 0.0456 0.0597
Echinococcus multilocularis General substrate transporter 0.0063 0.1463 0.1463
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0023 0.0456 0.0903
Trypanosoma brucei THT1 - hexose transporter, putative 0.0023 0.0463 0.8651
Trypanosoma cruzi hexose transporter 0.0023 0.0463 0.8651
Leishmania major glucose transporter/membrane transporter D2, putative 0.0023 0.0463 0.8651
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Plasmodium vivax hexose transporter 0.0074 0.1719 0.2253
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0395 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.001 0.0154 0.2874
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.001 0.0154 0.3892
Echinococcus granulosus General substrate transporter 0.0063 0.1463 0.1463
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trypanosoma cruzi glucose transporter, putative 0.001 0.0154 0.2874
Trypanosoma cruzi hexose transporter, putative 0.0023 0.0463 0.8651
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0022 0.0444 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0026 0.0535 0.106
Loa Loa (eye worm) hypothetical protein 0.0016 0.0304 0.0563
Brugia malayi Cam kinase protein 1 0.0023 0.0455 0.0843
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Brugia malayi Pre-SET motif family protein 0.0222 0.5402 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0687 0.0687
Leishmania major protein kinase, putative 0.0023 0.0455 0.8517
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Brugia malayi Sugar transporter family protein 0.001 0.0154 0.0284
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0014 0.0254 0.0412
Echinococcus granulosus Sugar transporter ERD6 protein 0.001 0.0154 0.0154
Toxoplasma gondii sugar transporter ST1 0.001 0.0154 0.0305
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0016 0.0304 0.0494
Chlamydia trachomatis lysine--tRNA ligase 0.0016 0.0304 1
Echinococcus multilocularis solute carrier family 22 0.001 0.0154 0.0154
Schistosoma mansoni sugar transporter 0.001 0.0154 0.0894
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.5402 1
Schistosoma mansoni ap endonuclease 0.002 0.0395 0.2297
Schistosoma mansoni lysyl-tRNA synthetase 0.0016 0.0304 0.1769
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0154 0.0249
Plasmodium falciparum calcium-dependent protein kinase 1 0.0023 0.0456 0.0597
Leishmania major glucose transporter, lmgt2 0.0023 0.0463 0.8651
Brugia malayi hypothetical protein 0.001 0.0154 0.0284
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0023 0.0456 0.0903
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Schistosoma mansoni glucose transport protein 0.0074 0.1719 1
Leishmania major myo-inositol/proton symporter (MIT) 0.001 0.0154 0.2874
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Brugia malayi Major Facilitator Superfamily protein 0.001 0.0154 0.0284
Plasmodium falciparum mitogen-activated protein kinase 2 0.0119 0.2841 0.3724
Trypanosoma cruzi sugar transporter, putative 0.001 0.0154 0.2874
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0074 0.1719 0.1719
Plasmodium vivax sugar transporter, putative 0.001 0.0154 0.0201
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0014 0.0243 0.615
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0023 0.0456 0.0597
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0119 0.2841 0.3724
Brugia malayi major facilitator superfamily protein 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Brugia malayi major facilitator superfamily protein 0.001 0.0154 0.0284
Loa Loa (eye worm) major facilitator superfamily transporter 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0463 0.0751
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0022 0.0444 0.2583
Echinococcus granulosus lysyl tRNA synthetase 0.0016 0.0304 0.0304
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0658 0.0658
Plasmodium vivax proline--tRNA ligase, putative 0.0026 0.0535 0.0701
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0395 0.0395
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0023 0.0456 0.0597
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Echinococcus multilocularis solute carrier family 22 0.001 0.0154 0.0154
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0463 0.0751
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.001 0.0154 0.3892
Brugia malayi Major Facilitator Superfamily protein 0.001 0.0154 0.0284
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0395 0.0641
Trichomonas vaginalis glucose transporter, putative 0.0023 0.0463 0.0751
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0023 0.0456 0.0903
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0022 0.0444 0.0444
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Schistosoma mansoni sugar transporter 0.001 0.0154 0.0894
Giardia lamblia Lysyl-tRNA synthetase 0.0016 0.0304 0.6849
Echinococcus multilocularis solute carrier family 22 0.001 0.0154 0.0154
Trichomonas vaginalis sugar transporter, putative 0.0023 0.0463 0.0751
Toxoplasma gondii sugar transporter ST3 0.001 0.0154 0.0305
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0023 0.0455 0.0455
Trichomonas vaginalis glucose transporter, putative 0.0023 0.0463 0.0751
Leishmania major glucose transporter, lmgt1 0.0023 0.0463 0.8651
Trypanosoma cruzi hexose transporter, putative 0.0012 0.0206 0.386
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Leishmania major glucose transporter, lmgt3 0.0023 0.0463 0.8651
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0016 0.0304 0.7702
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.001 0.0154 0.3892
Schistosoma mansoni glucose transport protein 0.0074 0.1719 1
Toxoplasma gondii transporter, major facilitator family protein 0.001 0.0154 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0154 0.0249
Echinococcus multilocularis synaptic vesicle 2 protein 0.001 0.0154 0.0154
Schistosoma mansoni protein kinase 0.0023 0.0455 0.2648
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0395 0.0731
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0395 0.7386
Brugia malayi hypothetical protein 0.001 0.0154 0.0284
Loa Loa (eye worm) major facilitator superfamily transporter 0.001 0.0154 0.0284
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0687 0.1362
Plasmodium vivax CDK-related protein kinase 6, putative 0.0312 0.763 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0023 0.0455 0.0843
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Toxoplasma gondii lysine-tRNA ligase 0.0016 0.0304 0.0603
Loa Loa (eye worm) hypothetical protein 0.0022 0.0444 0.0822
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0022 0.0444 0.0822
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0016 0.0304 0.5689
Schistosoma mansoni sugar transporter 0.001 0.0154 0.0894
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0395 0.7386
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Echinococcus multilocularis solute carrier family 22 0.001 0.0154 0.0154
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Schistosoma mansoni hypothetical protein 0.0074 0.1719 1
Onchocerca volvulus 0.0253 0.6162 1
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0455 0.2648
Plasmodium falciparum calcium-dependent protein kinase 3 0.0023 0.0456 0.0597
Loa Loa (eye worm) sugar transporter 0.001 0.0154 0.0284
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0119 0.2841 0.5632
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0016 0.0304 0.6849
Loa Loa (eye worm) hypothetical protein 0.0018 0.0342 0.0632
Toxoplasma gondii facilitative glucose transporter GT1 0.0074 0.1719 0.3408
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0022 0.0444 0.2583
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0022 0.0444 0.9752
Treponema pallidum prolyl-tRNA synthetase 0.0008 0.0091 0.2294
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0395 0.0641
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0687 0.0687
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0687 0.3996
Entamoeba histolytica protein kinase, putative 0.0023 0.0455 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0016 0.0304 0.5689
Echinococcus multilocularis lysyl tRNA synthetase 0.0016 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1376 0.8004
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Plasmodium falciparum calcium-dependent protein kinase 5 0.0023 0.0456 0.0597
Trypanosoma brucei glucose transporter, putative 0.0023 0.0463 0.8651
Plasmodium vivax lysine--tRNA ligase, putative 0.0016 0.0304 0.0399
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0395 0.8672
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trypanosoma cruzi hexose transporter, putative 0.0023 0.0463 0.8651
Plasmodium falciparum proline--tRNA ligase 0.0026 0.0535 0.0701
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0687 0.3996
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0284
Trichomonas vaginalis set domain proteins, putative 0.0253 0.6162 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0395 0.0395
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0074 0.1719 0.1719
Schistosoma mansoni sugar transporter 0.001 0.0154 0.0894
Entamoeba histolytica protein kinase, putative 0.0023 0.0455 1
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249
Trichomonas vaginalis sugar transporter, putative 0.001 0.0154 0.0249

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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

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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