Detailed information for compound 1949588

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.45 | Formula: C22H23N5O3
  • H donors: 3 H acceptors: 5 LogP: 2.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1nnc(n1c1ccc2c(c1)ccn2C)c1cc(C(C)C)c(cc1O)O
  • InChi: 1S/C22H23N5O3/c1-12(2)16-10-17(20(30)11-19(16)29)21-24-25-22(23-13(3)28)27(21)15-5-6-18-14(9-15)7-8-26(18)4/h5-12,29-30H,1-4H3,(H,23,25,28)
  • InChiKey: NQYVUOUNGQDZAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class B member 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90kDa alpha (cytosolic), class B member 1 724 aa 725 aa 35.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1855 0.4779
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Echinococcus multilocularis heat shock protein 0.0039 0.3091 0.1819
Echinococcus multilocularis heat shock protein 90 0.0039 0.3091 0.1819
Plasmodium vivax tyrosine--tRNA ligase, putative 0.0042 0.3692 1
Schistosoma mansoni heat shock protein 0.0039 0.3091 0.1517
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0033 0.1855 0.4779
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0033 0.1855 0.1407
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0033 0.1855 0.5026
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Schistosoma mansoni endoplasmin 0.0039 0.3091 0.1517
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0033 0.1855 1
Plasmodium falciparum heat shock protein 90 0.0039 0.3091 0.8292
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.3091 0.6728
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.1855 0.5026
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.1555 0.4211
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1855 0.4779
Trichomonas vaginalis heat shock protein, putative 0.0039 0.3091 0.8292
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.3091 0.8372
Schistosoma mansoni heat shock protein 0.0039 0.3091 0.1517
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0033 0.1855 1
Leishmania major hypothetical protein 0.0033 0.1855 0.1407
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.3091 0.6728
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.3091 0.8372
Schistosoma mansoni endoplasmin 0.0039 0.3091 0.1517
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.3091 0.8372
Trichomonas vaginalis heat shock protein, putative 0.0031 0.1555 0.3923
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1855 0.4779
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Plasmodium vivax endoplasmin, putative 0.0039 0.3091 0.6728
Giardia lamblia Methionyl-tRNA synthetase 0.0033 0.1855 0.1407
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0033 0.1855 0.5026
Leishmania major tyrosyl-tRNA synthetase, putative 0.0042 0.3692 1
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Entamoeba histolytica tyrosyl-tRNA synthetase, putative 0.0042 0.3692 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1855 0.4779
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.3091 0.7189
Plasmodium falciparum tRNA import protein tRIP 0.0033 0.1855 0.4779
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.3091 0.6728
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Giardia lamblia Tyrosyl-tRNA synthetase 0.0042 0.3692 1
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.1555 0.4211
Echinococcus granulosus heat shock protein 0.0039 0.3091 0.1819
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Echinococcus multilocularis tyrosyl tRNA synthetase 0.0075 1 1
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Brugia malayi Endoplasmin precursor 0.0039 0.3091 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.1555 0.5
Plasmodium falciparum tyrosine--tRNA ligase 0.0042 0.3692 1
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0033 0.1855 1
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trichomonas vaginalis heat shock protein, putative 0.0031 0.1555 0.3923
Plasmodium vivax heat shock protein 86, putative 0.0039 0.3091 0.6728
Trypanosoma cruzi tyrosyl-tRNA synthetase, putative 0.0042 0.3692 1
Toxoplasma gondii tRNA synthetases class I family protein 0.0042 0.3692 1
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.3091 0.6728
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.1855 0.5026
Toxoplasma gondii heat shock protein HSP90 0.0039 0.3091 0.6728
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.3091 0.6728
Loa Loa (eye worm) endoplasmin 0.0039 0.3091 1
Leishmania major hypothetical protein, conserved 0.0033 0.1855 0.1407
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0033 0.1855 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.3091 0.8372
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0033 0.1855 0.0356
Brugia malayi heat shock protein 90 0.0039 0.3091 1
Echinococcus granulosus heat shock protein 90 0.0039 0.3091 0.1819
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.3091 0.8372
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0042 0.3692 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0042 0.3692 1
Treponema pallidum methionyl-tRNA synthetase 0.0033 0.1855 1
Loa Loa (eye worm) heat shock protein 90 0.0039 0.3091 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.1555 0.3923
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.3091 0.6728
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Schistosoma mansoni tyrosyl-tRNA synthetase 0.0075 1 1
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0033 0.1855 0.0356
Leishmania major heat shock protein 83-1 0.0039 0.3091 0.7189
Trypanosoma brucei heat shock protein, putative 0.0039 0.3091 0.6728

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 382 nM BindingDB_Patents: Inhibition Assay. Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M9636) and polyvinyl alcohol USP (2.32% w/v) (P1097) are obtained from Sigma. A Malachite Green Assay (see Methods Mol Med, 2003, 85:149 for method details) is used for examination of ATPase activity of Hsp90 protein. Briefly, Hsp90 protein in assay buffer (100 mM Tris-HCl, Ph7.4, mM KCl, 6 mM MgCl2) is mixed with ATP alone (negative control) or in the presence of Geldanamycin (a positive control) or a compound of the invention in a 96-well plate. Malachite green reagent is added to the reaction. The mixtures are incubated at 37° C. for 4 hours and sodium citrate buffer (34% w/v sodium citrate) is added to the reaction. The plate is read by an ELISA reader with an absorbance at 620 nm. ChEMBL. No reference
IC50 (binding) = 382 nM Inhibition Assay BINDINGDB. No reference
IC50 (binding) = 382 nM BindingDB_Patents: Inhibition Assay. Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M9636) and polyvinyl alcohol USP (2.32% w/v) (P1097) are obtained from Sigma. A Malachite Green Assay (see Methods Mol Med, 2003, 85:149 for method details) is used for examination of ATPase activity of Hsp90 protein. Briefly, Hsp90 protein in assay buffer (100 mM Tris-HCl, Ph7.4, mM KCl, 6 mM MgCl2) is mixed with ATP alone (negative control) or in the presence of Geldanamycin (a positive control) or a compound of the invention in a 96-well plate. Malachite green reagent is added to the reaction. The mixtures are incubated at 37° C. for 4 hours and sodium citrate buffer (34% w/v sodium citrate) is added to the reaction. The plate is read by an ELISA reader with an absorbance at 620 nm. 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.
 
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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