Detailed information for compound 835542

Basic information

Technical information
  • TDR Targets ID: 835542
  • Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]p henyl]-2-(2H-1,2,4-triazol-3-ylsulfanyl)aceta mide
  • MW: 419.481 | Formula: C16H17N7O3S2
  • H donors: 3 H acceptors: 7 LogP: 1.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)CSc1n[nH]cn1
  • InChi: 1S/C16H17N7O3S2/c1-10-7-11(2)20-15(19-10)23-28(25,26)13-5-3-12(4-6-13)21-14(24)8-27-16-17-9-18-22-16/h3-7,9H,8H2,1-2H3,(H,21,24)(H,17,18,22)(H,19,20,23)
  • InChiKey: DKNCXSNWEAZAQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-(2H-1,2,4-triazol-3-ylthio)acetamide
  • N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2H-1,2,4-triazol-3-ylthio)acetamide
  • N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2H-1,2,4-triazol-3-ylsulfanyl)ethanamide
  • A2276/0095877
  • BIM-0021827.P001
  • MLS000676678
  • N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
  • SMR000298333
  • CBMicro_021935

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Plasmodium falciparum tubulin delta chain, putative 0.0053 0.1194 0.2035
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Loa Loa (eye worm) tubulin gamma chain 0.0122 0.5864 0.5864
Trypanosoma cruzi tubulin gamma chain 0.0122 0.5864 1
Echinococcus multilocularis tubulin alpha chain 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha chain 0.0122 0.5864 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0069 0.228 0.2326
Schistosoma mansoni tubulin subunit gamma 0.0122 0.5864 1
Schistosoma mansoni alpha tubulin 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha chain 0.0122 0.5864 1
Schistosoma mansoni alpha tubulin 0.0122 0.5864 1
Toxoplasma gondii beta-tubulin, putative 0.0122 0.5864 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0122 0.5864 1
Plasmodium vivax tubulin alpha chain, putative 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0122 0.5864 0.5864
Echinococcus granulosus tubulin alpha 0.0122 0.5864 1
Brugia malayi Tubulin beta-1 chain 0.0122 0.5864 0.5864
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.5439 0.9275
Schistosoma mansoni tubulin subunit beta 0.0122 0.5864 1
Leishmania major epsilon tubulin, putative 0.0122 0.5864 1
Giardia lamblia Alpha-tubulin 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Giardia lamblia Beta tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit alpha 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit beta 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Giardia lamblia Alpha-tubulin 0.0122 0.5864 1
Loa Loa (eye worm) BEN-1 protein 0.0122 0.5864 0.5864
Echinococcus granulosus tubulin epsilon chain 0.0122 0.5864 1
Echinococcus granulosus tubulin subunit TubB 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Brugia malayi Tubulin gamma chain 0.0122 0.5864 0.5864
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0053 0.1194 0.2035
Trypanosoma brucei tubulin gamma chain 0.0122 0.5864 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0503 0.0858
Giardia lamblia Beta tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0122 0.5864 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0069 0.228 0.2326
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0053 0.1194 0.1194
Schistosoma mansoni tubulin subunit delta 0.0053 0.1194 0.2035
Echinococcus multilocularis Tubulin alpha 1 chain 0.0122 0.5864 1
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Onchocerca volvulus 0.0182 1 1
Leishmania major beta tubulin 0.0122 0.5864 1
Brugia malayi jmjC domain containing protein 0.0115 0.5439 0.5439
Echinococcus granulosus Tubulin beta 2C chain 0.0122 0.5864 1
Echinococcus multilocularis tubulin alpha chain 0.0122 0.5864 1
Brugia malayi Tubulin alpha-2 chain 0.0122 0.5864 0.5864
Echinococcus multilocularis tubulin alpha 1C chain 0.0122 0.5864 1
Echinococcus multilocularis tubulin beta 1 chain 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha chain 0.0122 0.5864 1
Giardia lamblia Gamma tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Plasmodium vivax delta tubulin, putative 0.0053 0.1194 0.2035
Brugia malayi Tubulin alpha-2 chain 0.0122 0.5864 0.5864
Leishmania major beta tubulin 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Giardia lamblia Epsilon tubulin 0.0053 0.1194 0.2035
Trypanosoma brucei alpha tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin, putative 0.0069 0.228 0.2326
Echinococcus multilocularis tubulin alpha 3 chain 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha 3 chain 0.0122 0.5864 1
Trypanosoma cruzi epsilon tubulin, putative 0.0122 0.5864 1
Brugia malayi beta-tubulin, identical 0.0122 0.5864 0.5864
Schistosoma mansoni tubulin subunit beta 0.0053 0.1194 0.2035
Echinococcus granulosus tubulin alpha 1C chain 0.0122 0.5864 1
Trichomonas vaginalis tubulin, putative 0.0122 0.5864 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.5439 0.9275
Schistosoma mansoni tubulin subunit alpha 0.0053 0.1194 0.2035
Treponema pallidum cell division protein FtsZ 0.0053 0.1194 0.5
Loa Loa (eye worm) tubulin alpha-2 chain 0.0122 0.5864 0.5864
Schistosoma mansoni jumonji domain containing protein 0.0092 0.383 0.6531
Plasmodium falciparum tubulin epsilon chain, putative 0.0122 0.5864 1
Plasmodium vivax tubulin gamma chain, putative 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit beta 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit beta 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit alpha 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha chain 0.0122 0.5864 1
Loa Loa (eye worm) tubulin alpha chain 0.0122 0.5864 0.5864
Echinococcus multilocularis Tubulin alpha 1 chain 0.0122 0.5864 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0122 0.5864 0.5864
Echinococcus multilocularis Tubulin alpha 1 chain 0.0122 0.5864 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0069 0.228 0.228
Trichomonas vaginalis tubulin beta chain, putative 0.0069 0.228 0.2326
Leishmania major beta tubulin 0.0122 0.5864 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0122 0.5864 1
Loa Loa (eye worm) BEN-1 protein 0.0122 0.5864 0.5864
Loa Loa (eye worm) alpha-tubulin 0.0122 0.5864 0.5864
Trichomonas vaginalis tubulin alpha chain, putative 0.0069 0.228 0.2326
Echinococcus granulosus Tubulin beta 2C chain 0.0122 0.5864 1
Schistosoma mansoni alpha tubulin 0.0122 0.5864 1
Trypanosoma brucei alpha tubulin 0.0122 0.5864 1
Trypanosoma brucei epsilon tubulin 0.0122 0.5864 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Echinococcus granulosus peroxisome assembly protein 26 0.0122 0.5864 1
Echinococcus multilocularis tubulin delta chain 0.0053 0.1194 0.2035
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0069 0.228 0.2326
Brugia malayi Tubulin alpha chain 0.0122 0.5864 0.5864
Echinococcus granulosus Tubulin alpha 1 chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Brugia malayi tubulin alpha chain - mouse 0.0122 0.5864 0.5864
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0503 0.0503
Mycobacterium ulcerans cell division protein FtsZ 0.0053 0.1194 0.5
Echinococcus granulosus alpha tubulin 0.0122 0.5864 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0122 0.5864 0.5864
Brugia malayi jmjC domain containing protein 0.0043 0.0503 0.0503
Giardia lamblia Delta tubulin 0.0053 0.1194 0.2035
Echinococcus multilocularis tubulin alpha 1C chain 0.0122 0.5864 1
Echinococcus granulosus tubulin delta chain 0.0053 0.1194 0.2035
Loa Loa (eye worm) beta-tubulin 0.0122 0.5864 0.5864
Echinococcus granulosus tubulin alpha 3 chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2545 0.2545
Entamoeba histolytica tubulin alpha chain, putative 0.0122 0.5864 0.5
Echinococcus multilocularis tubulin alpha chain 0.0122 0.5864 1
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0122 0.5864 1
Brugia malayi Tubulin beta chain 0.0069 0.228 0.228
Trypanosoma brucei alpha tubulin, putative 0.0069 0.228 0.2326
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Echinococcus granulosus Tubulin beta 2C chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Trypanosoma brucei alpha tubulin 0.0122 0.5864 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0053 0.1194 0.5
Onchocerca volvulus 0.0069 0.228 0.228
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0936 0.1597
Trypanosoma cruzi beta tubulin, putative 0.0122 0.5864 1
Echinococcus multilocularis tubulin alpha chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0122 0.5864 1
Echinococcus granulosus tubulin beta 1 chain 0.0122 0.5864 1
Plasmodium falciparum tubulin gamma chain 0.0122 0.5864 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.228 0.228
Echinococcus multilocularis tubulin epsilon chain 0.0122 0.5864 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha 1C chain 0.0122 0.5864 1
Plasmodium vivax tubulin epsilon chain, putative 0.0122 0.5864 1
Giardia lamblia Beta tubulin 0.0122 0.5864 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.5864 0.5864
Leishmania major beta tubulin 0.0122 0.5864 1
Entamoeba histolytica tubulin family protein 0.0122 0.5864 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.1194 0.1194
Trypanosoma brucei beta tubulin 0.0122 0.5864 1
Entamoeba histolytica tubulin alpha-1 chain 0.0122 0.5864 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0503 0.0858
Toxoplasma gondii alpha tubulin TUBA1 0.0122 0.5864 1
Plasmodium falciparum alpha tubulin 2 0.0122 0.5864 1
Loa Loa (eye worm) alpha-tubulin 0.0122 0.5864 0.5864
Schistosoma mansoni tubulin subunit epsilon 0.0122 0.5864 1
Echinococcus multilocularis hypothetical protein 0.0122 0.5864 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0503 0.0858
Echinococcus multilocularis tubulin subunit TubB 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.5864 1
Echinococcus granulosus tubulin subunit beta 0.0122 0.5864 1
Brugia malayi Tubulin beta chain 0.0053 0.1194 0.1194
Brugia malayi tubulin alpha-2 chain 0.0122 0.5864 0.5864
Toxoplasma gondii alpha-tubulin I, putative 0.0122 0.5864 1
Brugia malayi Tubulin alpha chain 0.0053 0.1194 0.1194
Entamoeba histolytica tubulin gamma chain 0.0122 0.5864 0.5
Leishmania major alpha tubulin 0.0122 0.5864 1
Echinococcus multilocularis tubulin alpha chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Trypanosoma brucei beta tubulin 0.0122 0.5864 1
Entamoeba histolytica tubulin family protein 0.0122 0.5864 0.5
Plasmodium vivax tubulin alpha chain, putative 0.0122 0.5864 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0122 0.5864 1
Echinococcus granulosus beta tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0069 0.228 0.2326
Trichomonas vaginalis tubulin, putative 0.0069 0.228 0.2326
Echinococcus multilocularis beta tubulin 0.0122 0.5864 1
Loa Loa (eye worm) tubulin beta chain 0.0122 0.5864 0.5864
Trypanosoma brucei beta tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0122 0.5864 1
Echinococcus granulosus beta tubulin 0.0122 0.5864 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0936 0.1597
Plasmodium falciparum alpha tubulin 1 0.0122 0.5864 1
Echinococcus multilocularis tubulin subunit beta 0.0122 0.5864 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0122 0.5864 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0122 0.5864 1
Trypanosoma brucei epsilon tubulin 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Echinococcus granulosus Tubulin beta 2C chain 0.0122 0.5864 1
Echinococcus granulosus tubulin alpha chain 0.0122 0.5864 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0122 0.5864 1
Leishmania major gamma-tubulin 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Trichomonas vaginalis tubulin beta chain, putative 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit beta 0.0122 0.5864 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0053 0.1194 0.2035
Loa Loa (eye worm) tubulin alpha 2 0.0069 0.228 0.228
Trichomonas vaginalis tubulin alpha chain, putative 0.0122 0.5864 1
Schistosoma mansoni tubulin subunit alpha 0.0122 0.5864 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0122 0.5864 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Trypanosoma brucei beta tubulin 0.0122 0.5864 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0503 0.0858
Mycobacterium leprae cell division protein FtsZ 0.0053 0.1194 0.5
Brugia malayi Cell division protein ftsZ 0.0053 0.1194 0.1194
Echinococcus multilocularis tubulin alpha 0.0122 0.5864 1
Trypanosoma cruzi epsilon tubulin, putative 0.0122 0.5864 1
Toxoplasma gondii beta-1 tubulin, putative 0.0122 0.5864 1
Echinococcus multilocularis beta tubulin 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1708 0.1708
Loa Loa (eye worm) tubulin beta chain 0.0053 0.1194 0.1194
Leishmania major alpha tubulin 0.0122 0.5864 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0122 0.5864 1
Leishmania major beta tubulin 0.0122 0.5864 1
Trypanosoma cruzi alpha tubulin, putative 0.0122 0.5864 1
Leishmania major alpha tubulin 0.0122 0.5864 1
Echinococcus granulosus tubulin gamma 1 chain 0.0122 0.5864 1
Brugia malayi alpha-tubulin 0.0122 0.5864 0.5864
Schistosoma mansoni tubulin subunit beta 0.0122 0.5864 1
Plasmodium vivax tubulin beta chain, putative 0.0122 0.5864 1
Trypanosoma brucei beta tubulin 0.0122 0.5864 1
Trypanosoma brucei alpha tubulin 0.0122 0.5864 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0122 0.5864 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0053 0.1194 0.5
Loa Loa (eye worm) tubulin alpha chain 0.0122 0.5864 0.5864
Trichomonas vaginalis tubulin epsilon chain, putative 0.0122 0.5864 1
Loa Loa (eye worm) tubulin alpha 2 0.0069 0.228 0.228
Trypanosoma brucei epsilon tubulin 0.0122 0.5864 1
Plasmodium falciparum tubulin beta chain 0.0122 0.5864 1
Toxoplasma gondii beta tubulin 0.0122 0.5864 1
Echinococcus granulosus Tubulin beta 2C chain 0.0122 0.5864 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0122 0.5864 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 39.823 um PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based biochemical high throughput dose response assay to identify inverse agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
IC50 (functional) > 39.823 um PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists. (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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