Detailed information for compound 1368026

Basic information

Technical information
  • TDR Targets ID: 1368026
  • Name: ZINC01427141
  • MW: 406.458 | Formula: C21H18N4O3S
  • H donors: 1 H acceptors: 2 LogP: 2.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2
  • InChi: 1S/C21H18N4O3S/c1-28-14-8-6-13(7-9-14)22-17(26)12-25-16-5-3-2-4-15(16)18-19(25)20(27)24-10-11-29-21(24)23-18/h2-9H,10-12H2,1H3,(H,22,26)
  • InChiKey: REECKKLIOHBMCU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • A3638/0154393
  • MLS000729179
  • N-(4-methoxyphenyl)-2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
  • SMR000307457

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida dubliniensis (strain CD36 / CBS 7987 / NCPF 3949 / NRRLY-17841) (Yeast) Serine/threonine-protein phosphatase Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus serine:threonine protein phosphatase 2B Get druggable targets OG5_127131 All targets in OG5_127131
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform, putative Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma mansoni protein phosphatase-2b Get druggable targets OG5_127131 All targets in OG5_127131
Leishmania major serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma congolense protein phosphatase 2B, putative Get druggable targets OG5_127131 All targets in OG5_127131
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis serine:threonine protein phosphatase 2B Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative Get druggable targets OG5_127131 All targets in OG5_127131
Entamoeba histolytica calcineurin catalytic subunit A, putative Get druggable targets OG5_127131 All targets in OG5_127131
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Neospora caninum serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma japonicum ko:K04348 protein phosphatase 3, catalytic subunit, putative Get druggable targets OG5_127131 All targets in OG5_127131
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica calcineurin catalytic subunit A, putative Get druggable targets OG5_127131 All targets in OG5_127131
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei serine/threonine protein phosphatase 2B catalytic subunit A Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma japonicum Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, putative Get druggable targets OG5_127131 All targets in OG5_127131
Leishmania mexicana serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum protein phosphatase 2B catalytic subunit, calcineurin like phosphatse superfamily Get druggable targets OG5_127131 All targets in OG5_127131
Entamoeba histolytica calcineurin catalytic subunit A, putative Get druggable targets OG5_127131 All targets in OG5_127131
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei protein phosphatase 2B, putative Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma japonicum Serine/threonine-protein phosphatase 2B catalytic subunit 3, putative Get druggable targets OG5_127131 All targets in OG5_127131
Echinococcus granulosus serine:threonine protein phosphatase 2B Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma mansoni protein phosphatase-2b Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum serine/threonine protein phosphatase 2B catalytic subunit A Get druggable targets OG5_127131 All targets in OG5_127131
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 Get druggable targets OG5_127131 All targets in OG5_127131
Entamoeba histolytica Ser/Thr protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma japonicum Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform, putative Get druggable targets OG5_127131 All targets in OG5_127131
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma cruzi serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
Leishmania braziliensis serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis protein phosphatase 2b Get druggable targets OG5_127131 All targets in OG5_127131
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica Ser/Thr protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma japonicum expressed protein Get druggable targets OG5_127131 All targets in OG5_127131
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans potential calcineurin-like protein serine/threonine protein phosphatase Get druggable targets OG5_127131 All targets in OG5_127131
Entamoeba histolytica calcineurin catalytic subunit A, putative Get druggable targets OG5_127131 All targets in OG5_127131
Plasmodium yoelii protein phosphatase 2B-related Get druggable targets OG5_127131 All targets in OG5_127131
Leishmania mexicana serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to calcineurin-like protein serine/threonine protein phosphatase Get druggable targets OG5_127131 All targets in OG5_127131
Leishmania braziliensis serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
Plasmodium knowlesi serine/threonine protein phosphatase 2B catalytic subunit A, putative Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma cruzi serine/threonine protein phosphatase, putative Get druggable targets OG5_127131 All targets in OG5_127131
Echinococcus multilocularis serine:threonine protein phosphatase 2B Get druggable targets OG5_127131 All targets in OG5_127131
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense serine/threonine protein phosphatase 2B catalytic subunit A2, putative Get druggable targets OG5_127131 All targets in OG5_127131
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
Entamoeba histolytica hypothetical protein 0.0043 0.5007 0.3924
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0051 0.6475 0.571
Leishmania major heat shock protein 83-1 0.0068 1 1
Schistosoma mansoni protein phosphatase-2b 0.0051 0.6475 0.6475
Echinococcus granulosus endoplasmin 0.0054 0.7165 0.7165
Giardia lamblia Heat shock protein HSP 90-alpha 0.0068 1 1
Echinococcus multilocularis heat shock protein 0.0068 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0028 0.1783 0.1783
Schistosoma mansoni heat shock protein 0.0068 1 1
Treponema pallidum heat shock protein 90 0.0054 0.7165 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5007 0.3924
Plasmodium falciparum heat shock protein 90, putative 0.0028 0.1783 0.1783
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0054 0.7165 0.5
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative 0.0051 0.6475 0.6475
Trypanosoma cruzi heat shock protein 85, putative 0.0054 0.7165 0.7165
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0051 0.6475 0.571
Trypanosoma brucei heat shock protein 84, putative 0.0028 0.1783 0.1783
Schistosoma mansoni hypothetical protein 0.0043 0.5007 0.5007
Echinococcus granulosus heat shock protein 90 0.0054 0.7165 0.7165
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0051 0.6475 0.571
Leishmania major heat shock protein 83-1 0.0068 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0068 1 1
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0051 0.6475 0.6475
Plasmodium falciparum serine/threonine protein phosphatase 2B catalytic subunit A 0.0051 0.6475 0.6475
Leishmania major heat shock protein 83-1 0.0068 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0068 1 1
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Loa Loa (eye worm) heat shock protein 75 0.0028 0.1783 0.1783
Leishmania major heat shock protein 83-1 0.0068 1 1
Leishmania major heat shock protein 83-1 0.0068 1 1
Schistosoma mansoni heat shock protein 0.0028 0.1783 0.1783
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5007 0.5007
Trichomonas vaginalis heat shock protein, putative 0.0054 0.7165 0.655
Leishmania major heat shock protein 83-1 0.0068 1 1
Trichomonas vaginalis heat shock protein, putative 0.0054 0.7165 0.655
Leishmania major heat shock protein 83-1 0.0068 1 1
Echinococcus granulosus heat shock protein 0.0068 1 1
Schistosoma mansoni endoplasmin 0.0068 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0068 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0028 0.1783 0.1783
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Loa Loa (eye worm) endoplasmin 0.0068 1 1
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0051 0.6475 0.6475
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5007 0.5007
Leishmania major heat shock protein 83-1 0.0068 1 1
Plasmodium vivax heat shock protein, putative 0.0028 0.1783 0.1783
Toxoplasma gondii Hsp90 domain-containing protein 0.0028 0.1783 0.1783
Trypanosoma brucei heat shock protein 90, putative 0.0068 1 1
Leishmania major heat shock protein 83-1 0.0068 1 1
Toxoplasma gondii heat shock protein 90, putative 0.0068 1 1
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0051 0.6475 0.571
Trypanosoma brucei heat shock protein 90, putative 0.0068 1 1
Leishmania major heat shock protein 83-1 0.0068 1 1
Trichomonas vaginalis heat shock protein, putative 0.0068 1 1
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0051 0.6475 0.571
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0028 0.1783 0.1783
Plasmodium falciparum endoplasmin, putative 0.0042 0.4618 0.4618
Trypanosoma cruzi serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0051 0.6475 0.6475
Plasmodium falciparum heat shock protein 90 0.0068 1 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.4618 0.345
Loa Loa (eye worm) hypothetical protein 0.005 0.6328 0.6328
Mycobacterium ulcerans heat shock protein 90 0.0054 0.7165 0.5
Entamoeba histolytica heat shock protein 90, putative 0.0068 1 1
Loa Loa (eye worm) heat shock protein 90 0.0068 1 1
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein 0.0051 0.6475 0.6475
Entamoeba histolytica hypothetical protein 0.0043 0.5007 0.3924
Trichomonas vaginalis heat shock protein, putative 0.0054 0.7165 0.655
Trypanosoma cruzi heat shock protein 85, putative 0.0068 1 1
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0051 0.6475 0.6475
Leishmania major heat shock protein 83-1 0.0068 1 1
Plasmodium vivax endoplasmin, putative 0.0068 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0054 0.7165 0.5
Leishmania major serine/threonine protein phosphatase, putative 0.0051 0.6475 0.6475
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Schistosoma mansoni protein phosphatase-2b 0.0051 0.6475 0.6475
Trichomonas vaginalis endoplasmin, putative 0.0042 0.4618 0.345
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.4296 0.4296
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0054 0.7165 0.7165
Leishmania major serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0051 0.6475 0.6475
Toxoplasma gondii heat shock protein HSP90 0.0068 1 1
Trypanosoma brucei protein phosphatase 2B, putative 0.0051 0.6475 0.6475
Echinococcus multilocularis heat shock protein 90 0.0068 1 1
Plasmodium vivax heat shock protein 86, putative 0.0068 1 1
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0051 0.6475 0.6475
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0051 0.6475 0.571
Echinococcus multilocularis endoplasmin 0.0054 0.7165 0.7165
Leishmania major heat shock protein 83-1 0.0068 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5007 0.3924
Echinococcus multilocularis heat shock protein 90 0.0054 0.7165 0.7165
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0054 0.7165 1
Leishmania major heat shock protein 83-1 0.0068 1 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0054 0.7165 0.7165
Schistosoma mansoni heat shock protein 0.0068 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0068 1 1
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.6475 0.6475
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Brugia malayi heat shock protein 90 0.0068 1 1
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0051 0.6475 0.6475
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0028 0.1783 0.5
Leishmania major heat shock protein, putative 0.0028 0.1783 0.1783
Brugia malayi Hsp90 protein 0.0028 0.1783 0.1783
Brugia malayi hypothetical protein 0.0043 0.5007 0.5007
Leishmania major heat shock protein 83-1 0.0068 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0068 1 1
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 0.0051 0.6475 0.6475
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0051 0.6475 0.6475
Toxoplasma gondii heat shock protein 75, putative 0.0028 0.1783 0.1783
Leishmania major heat shock protein 83-1 0.0068 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.0068 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5007 0.5007
Trypanosoma brucei heat shock protein, putative 0.0068 1 1
Leishmania major heat shock protein 83-1 0.0068 1 1
Plasmodium vivax heat shock protein 90, putative 0.0028 0.1783 0.1783
Trypanosoma cruzi heat shock protein, putative 0.0028 0.1783 0.1783
Schistosoma mansoni endoplasmin 0.0068 1 1
Leishmania major heat shock protein 83-1 0.0068 1 1
Echinococcus granulosus heat shock protein 90 0.0068 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0054 0.7165 0.7165

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 4.099 uM PUBCHEM_BIOASSAY: Reversing Antifungal Drug Resistance Measured in Microorganism System Using Plate Reader - 2037-01_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2007] ChEMBL. No reference
AC50 (functional) = 12.74 uM PUBCHEM_BIOASSAY: Antifungal Drug Resistance - Resistant Strain Measured in Microorganism System Using Plate Reader - 2037-02_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2007] ChEMBL. No reference
AC50 (functional) = 34.21 uM PUBCHEM_BIOASSAY: Antifungal Drug Resistance - Mammalian Cell Toxicity Measured in Cell-Based System Using Plate Reader - 2037-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2007] ChEMBL. No reference
AC50 (functional) = 50.07 uM PUBCHEM_BIOASSAY: Antifungal Drug Resistance - Single Agent Toxicity Measured in Microorganism System Using Plate Reader - 2037-07_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2007] ChEMBL. No reference
IC50 (functional) > 10 uM Antifungal activity against fluconazole-resistant Candida albicans isolate 2 assessed as growth inhibition after 48 hrs by alamar blue fluorescence assay in presence of 8 ug/ml fluconazole ChEMBL. 22497765
IC50 (functional) > 26 uM Antifungal activity against fluconazole-resistant Candida albicans isolate 8 assessed as growth inhibition after 48 hrs by alamar blue fluorescence assay in presence of 8 ug/ml fluconazole ChEMBL. 22497765
Potency (functional) 14.581 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5962 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) 25.9185 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) 29.081 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 281.8383 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Candida albicans ChEMBL23 22497765

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.