Detailed information for compound 1494748

Basic information

Technical information
  • TDR Targets ID: 1494748
  • Name: 3-(2,5-dimethoxyphenyl)-1-(4-hydroxynaphthale n-1-yl)urea
  • MW: 338.357 | Formula: C19H18N2O4
  • H donors: 3 H acceptors: 2 LogP: 3.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)NC(=O)Nc1ccc(c2c1cccc2)O)OC
  • InChi: 1S/C19H18N2O4/c1-24-12-7-10-18(25-2)16(11-12)21-19(23)20-15-8-9-17(22)14-6-4-3-5-13(14)15/h3-11,22H,1-2H3,(H2,20,21,23)
  • InChiKey: HYVZFZNMOJVHFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,5-dimethoxyphenyl)-1-(4-hydroxy-1-naphthyl)urea
  • MLS001045574
  • SMR000469577
  • PC-0626772
  • PCMD-CC-PAB-238

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. Starlite/ChEMBL No references
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB Starlite/ChEMBL No references
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 Starlite/ChEMBL No references
Plasmodium falciparum heat shock protein 90, putative Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis heat shock protein 83 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 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
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
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
Theileria parva heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma brucei gambiense Heat shock protein 83, 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
Trypanosoma brucei heat shock protein, 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
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Leishmania braziliensis heat shock protein 83-1 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
Schistosoma mansoni endoplasmin 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
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative 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
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma brucei heat shock protein, 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
Schistosoma mansoni Replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin 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 infantum 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
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
Toxoplasma gondii 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
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 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
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
Echinococcus multilocularis 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
Treponema pallidum replicative DNA helicase (dnaB) Get druggable targets OG5_131890 All targets in OG5_131890
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii Hsp90 domain-containing protein Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma congolense 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 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 congolense heat shock protein 90, putative 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
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein 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
Toxoplasma gondii heat shock protein HSP90 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
Neospora caninum HSP90-like protein, 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 falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
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 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
Cryptosporidium parvum Hsp90 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
Plasmodium yoelii heat shock protein 83 Get druggable targets OG5_144951 All targets in OG5_144951
Echinococcus granulosus heat shock protein 90 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
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
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein, putative Get druggable targets OG5_144951 All targets in OG5_144951
Leishmania major heat shock protein 83-1 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
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative 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
Leishmania major 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
Leishmania major heat shock protein 83-1 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 mexicana heat shock protein 83-1 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
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Chlamydia trachomatis recombinase RecA Get druggable targets OG5_130095 All targets in OG5_130095
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
Trichomonas vaginalis 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
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans replicative DNA helicase DnaB Get druggable targets OG5_131890 All targets in OG5_131890
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein 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
Echinococcus granulosus heat shock protein 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
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB Get druggable targets OG5_131890 All targets in OG5_131890
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. Get druggable targets OG5_130095 All targets in OG5_130095
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Leishmania braziliensis heat shock protein 83-1 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
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. Get druggable targets OG5_130095 All targets in OG5_130095
Trichomonas vaginalis heat shock protein, putative 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
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
Treponema pallidum recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Loa Loa (eye worm) heat shock protein 90 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
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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
Trypanosoma cruzi 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
Leishmania major 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
Plasmodium yoelii putative heat shock protein 81-2 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
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis heat shock protein 90 Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma cruzi 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
Chlamydia trachomatis replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi recombinase A Get druggable targets OG5_130095 All targets in OG5_130095
Leishmania infantum 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
Treponema pallidum heat shock protein 90 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
Giardia lamblia Heat shock protein HSP 90-alpha 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
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dnaJ subfamily B 0.0452 0.1082 0.5183
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0812 0.1966 0.9405
Brugia malayi hypothetical protein 0.0182 0.0423 0.1525
Trypanosoma cruzi DNA repair protein, putative 0.004 0.0074 0.0202
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1142 0.2773 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0862 0.2088 0.748
Onchocerca volvulus 0.1142 0.2773 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0862 0.2088 1
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Loa Loa (eye worm) hypothetical protein 0.003 0.0049 0.0176
Schistosoma mansoni lamin 0.003 0.0049 0.0234
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Giardia lamblia Heat shock protein HSP 90-alpha 0.0055 0.0111 0.0073
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1142 0.2773 1
Brugia malayi heat shock protein 90 0.0055 0.0111 0.0402
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0011 0.0053
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Echinococcus granulosus endoplasmin 0.0052 0.0103 0.0494
Brugia malayi CXXC zinc finger family protein 0.0032 0.0054 0.0193
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0329 0.1187
Echinococcus multilocularis cpg binding protein 0.0034 0.0058 0.0278
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0049 0.0176
Loa Loa (eye worm) intermediate filament protein 0.003 0.0049 0.0176
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0862 0.2088 1
Echinococcus granulosus intermediate filament protein 0.003 0.0049 0.0234
Schistosoma mansoni heat shock protein 0.0055 0.0111 0.0534
Brugia malayi Hsp90 protein 0.0037 0.0066 0.0238
Loa Loa (eye worm) endoplasmin 0.0055 0.0111 0.0402
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0862 0.2088 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1142 0.2773 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0037 0.0066 0.0063
Echinococcus multilocularis geminin 0.0205 0.0477 0.2285
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0467 0.1119 1
Loa Loa (eye worm) twinkle helicase 0.0133 0.0303 0.1091
Brugia malayi MH2 domain containing protein 0.0144 0.0329 0.1187
Trypanosoma cruzi heat shock protein 90, putative 0.0055 0.0111 0.0383
Schistosoma mansoni heat shock protein 0.0055 0.0111 0.0534
Toxoplasma gondii heat shock protein 90, putative 0.0055 0.0111 0.0225
Echinococcus multilocularis heat shock protein 90 0.0055 0.0111 0.0534
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1142 0.2773 1
Echinococcus multilocularis heat shock protein 0.0055 0.0111 0.0534
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0467 0.1119 0.3804
Echinococcus granulosus lamin dm0 0.003 0.0049 0.0234
Loa Loa (eye worm) hypothetical protein 0.0014 0.0011 0.004
Schistosoma mansoni heat shock protein 0.0037 0.0066 0.0316
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.0111 0.0168
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0015 0.0054
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1142 0.2773 1
Schistosoma mansoni endoplasmin 0.0055 0.0111 0.0534
Plasmodium falciparum heat shock protein 90, putative 0.021 0.049 0.2139
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0141 0.0674
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Loa Loa (eye worm) heat shock protein 90 0.0055 0.0111 0.0402
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1142 0.2773 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0812 0.1966 0.9405
Toxoplasma gondii Hsp90 domain-containing protein 0.021 0.049 0.2095
Toxoplasma gondii heat shock protein HSP90 0.0055 0.0111 0.0225
Echinococcus granulosus dnaJ subfamily B 0.0452 0.1082 0.5183
Echinococcus granulosus heat shock protein 0.0055 0.0111 0.0534
Mycobacterium leprae Conserved hypothetical protein 0.1376 0.3346 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0862 0.2088 0.748
Trichomonas vaginalis heat shock protein, putative 0.0052 0.0103 0.0178
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0812 0.1966 0.9405
Trichomonas vaginalis heat shock protein, putative 0.0055 0.0111 0.0209
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0111 0.0383
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Trichomonas vaginalis heat shock protein, putative 0.0052 0.0103 0.0178
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0111 0.0383
Echinococcus multilocularis heat shock protein 90 0.0047 0.0092 0.044
Plasmodium vivax heat shock protein 86, putative 0.0055 0.0111 0.0225
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Echinococcus multilocularis lamin 0.003 0.0049 0.0234
Echinococcus granulosus lamin 0.003 0.0049 0.0234
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Brugia malayi intermediate filament protein 0.003 0.0049 0.0176
Loa Loa (eye worm) hypothetical protein 0.0182 0.0423 0.1525
Echinococcus granulosus geminin 0.0205 0.0477 0.2285
Plasmodium vivax heat shock protein, putative 0.021 0.049 0.2095
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Schistosoma mansoni cpg binding protein 0.0032 0.0054 0.0257
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0862 0.2088 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0000024492 0.0000088312
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.0111 0.0383
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0467 0.1119 0.3132
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1142 0.2773 1
Trichomonas vaginalis endoplasmin, putative 0.004 0.0074 0.0072
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0123 0.0283
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0812 0.1966 0.9405
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0862 0.2088 0.7529
Treponema pallidum recombinase A 0.013 0.0295 0.189
Trichomonas vaginalis heat shock protein, putative 0.004 0.0074 0.0072
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0862 0.2088 0.7469
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.0111 0.0225
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. 0.013 0.0295 0.0592
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Echinococcus granulosus cpg binding protein 0.0034 0.0058 0.0278
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0037 0.0066 0.0316
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0329 0.1187
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0862 0.2088 1
Schistosoma mansoni lamin 0.003 0.0049 0.0234
Trypanosoma brucei recA bacterial DNA recombination protein, putative 0.004 0.0074 0.0041
Schistosoma mansoni intermediate filament proteins 0.003 0.0049 0.0234
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0015 0.0054
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0035
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1142 0.2773 0.2698
Onchocerca volvulus 0.0032 0.0054 0.0017
Loa Loa (eye worm) Smad1 0.001 0.0000024492 0.0000088312
Wolbachia endosymbiont of Brugia malayi recombinase A 0.013 0.0295 0.189
Plasmodium vivax endoplasmin, putative 0.0055 0.0111 0.0225
Trypanosoma brucei hypothetical protein, conserved 0.0812 0.1966 0.9395
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0037 0.0066 0.0316
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0000024492 0.0000088312
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.0111 0.0225
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0862 0.2088 0.7529
Loa Loa (eye worm) heat shock protein 75 0.0037 0.0066 0.0238
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0812 0.1966 0.9405
Trichomonas vaginalis heat shock protein, putative 0.0047 0.0092 0.0137
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Echinococcus multilocularis musashi 0.003 0.0049 0.0234
Treponema pallidum replicative DNA helicase (dnaB) 0.0467 0.1119 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0011 0.0053
Trypanosoma brucei Heat shock protein 83, putative 0.0055 0.0111 0.0225
Plasmodium falciparum endoplasmin, putative 0.004 0.0074 0.0096
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0862 0.2088 0.7529
Schistosoma mansoni cpg binding protein 0.0034 0.0058 0.0278
Plasmodium falciparum heat shock protein 90 0.0055 0.0111 0.0279
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA14 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.0341 0.0812 0.0716
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0862 0.2088 0.7529
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1142 0.2773 1
Schistosoma mansoni hypothetical protein 0.0205 0.0477 0.2285
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.0111 0.0168
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0049 0.0176
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0812 0.1966 0.9395
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Brugia malayi Endoplasmin precursor 0.0055 0.0111 0.0402
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0862 0.2088 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0047 0.0092 0.044
Schistosoma mansoni hypothetical protein 0.0205 0.0477 0.2285
Trypanosoma cruzi heat shock protein, putative 0.0037 0.0066 0.0162
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Echinococcus granulosus heat shock protein 90 0.0047 0.0092 0.044
Schistosoma mansoni cpg binding protein 0.0034 0.0058 0.0278
Schistosoma mansoni hypothetical protein 0.0452 0.1082 0.5183
Echinococcus multilocularis lamin dm0 0.003 0.0049 0.0234
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.3756 0.9176 0.9168
Trypanosoma brucei heat shock protein, putative 0.0055 0.0111 0.0225
Echinococcus multilocularis endoplasmin 0.0052 0.0103 0.0494
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1142 0.2773 1
Schistosoma mansoni endoplasmin 0.0055 0.0111 0.0534
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.0092 0.0288
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0052 0.0103 0.0184
Schistosoma mansoni Replicative DNA helicase 0.0467 0.1119 0.5359
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1142 0.2773 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1142 0.2773 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0054 0.0193
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1142 0.2773 1
Chlamydia trachomatis replicative DNA helicase 0.0467 0.1119 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0035
Echinococcus granulosus heat shock protein 90 0.0055 0.0111 0.0534
Trypanosoma brucei hypothetical protein, conserved 0.0812 0.1966 0.9395
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0862 0.2088 1
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0092 0.0288
Giardia lamblia Grp94/Hsp90 0.0052 0.0103 0.0042
Onchocerca volvulus 0.0182 0.0423 0.1373
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0862 0.2088 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0055 0.0111 0.0383
Mycobacterium ulcerans recombinase A 0.013 0.0295 0.0719
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0862 0.2088 1
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225
Trypanosoma cruzi DNA repair protein, putative 0.004 0.0074 0.0202
Loa Loa (eye worm) hypothetical protein 0.0029 0.0048 0.0172
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0862 0.2088 1
Leishmania major heat shock protein 83-1 0.0055 0.0111 0.0225

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) < 0.195 uM PUBCHEM_BIOASSAY: Anti-Malarial Hsp90 Inhibitors Measured in Microorganism System Using Plate Reader - 2121-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596] ChEMBL. No reference
AC50 (functional) = 0.434 uM PUBCHEM_BIOASSAY: HsHsp90 Counterscreen Measured in Microorganism System Using Plate Reader - 2121-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596] ChEMBL. No reference
AC50 (functional) = 11.49 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
AC50 (functional) = 93.78 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
EC50 (functional) = 0.152 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950] ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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