Detailed information for compound 1306989

Basic information

Technical information
  • TDR Targets ID: 1306989
  • Name: 7-(3-fluorophenyl)-5-phenyl-1H-pyrrolo[3,2-e] pyrimidine-4-thione
  • MW: 321.371 | Formula: C18H12FN3S
  • H donors: 0 H acceptors: 2 LogP: 4.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)n1cc(c2c1ncnc2S)c1ccccc1
  • InChi: 1S/C18H12FN3S/c19-13-7-4-8-14(9-13)22-10-15(12-5-2-1-3-6-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
  • InChiKey: PCRMKICQPYZPNC-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida albicans hypothetical protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens _UBC13, UbcH-ben, UbcH13 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis heat shock protein 83-1 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
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K10580 ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Cryptosporidium parvum ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni 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
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum Hsp90 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
Trypanosoma brucei heat shock protein, putative 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
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, 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 ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Toxoplasma gondii 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
Leishmania major heat shock protein 83-1 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
Leishmania major heat shock protein 83-1 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, 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
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Candida albicans heat shock protein 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
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi heat shock protein 85, putative 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
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
Trypanosoma cruzi heat shock protein 85, 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
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
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans ubiquitin conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni ubiquitin conjugating enzyme 13 Get druggable targets OG5_127739 All targets in OG5_127739
Schistosoma mansoni 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
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma cruzi heat shock protein 90, 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 congolense ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Echinococcus granulosus 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
Plasmodium yoelii heat shock 90 kDa protein homolog 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
Candida albicans heat shock protein 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
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans post-replication repair Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis heat shock protein, 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
Brugia malayi Ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania major ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania infantum heat shock protein 83-1 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
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
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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 vivax ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Wolbachia endosymbiont of Brugia malayi 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
Schistosoma mansoni endoplasmin 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
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Plasmodium vivax endoplasmin, 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
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum Ubiquitin carrier protein (EC 6.3.2.-), related Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani ubiquitin-conjugating enzyme E2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
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
Plasmodium knowlesi ubiquitin-conjugating enzyme E2 N, putative Get druggable targets OG5_127739 All targets in OG5_127739
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
Plasmodium falciparum heat shock protein 90 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
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi ubiquitin conjugating enzyme protein 13 Get druggable targets OG5_127739 All targets in OG5_127739
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) heat shock protein 90 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 yoelii heat shock protein 90 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
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica ubiquitin-conjugating enzyme family protein Get druggable targets OG5_127739 All targets in OG5_127739
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major 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
Echinococcus granulosus ubiquitin conjugating enzyme E2 N Get druggable targets OG5_127739 All targets in OG5_127739
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 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
Trypanosoma brucei 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Leishmania braziliensis ubiquitin-conjugating enzyme e2, putative Get druggable targets OG5_127739 All targets in OG5_127739
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Trichomonas vaginalis 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
Cryptosporidium hominis ubiquitin-conjugating enzyme Get druggable targets OG5_127739 All targets in OG5_127739
Neospora caninum HSP90, related 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 infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 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 90, putative 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
Leishmania donovani 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum ubiquitin-conjugating enzyme E2, putative _UBC13, UbcH-ben, UbcH13 152 aa 153 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans heat shock protein 90 0.0031 0.2512 0.5
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.4963 1
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.3835 0.7727
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.4963 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.2512 0.5061
Treponema pallidum heat shock protein 90 0.0031 0.2512 0.5
Echinococcus granulosus heat shock protein 90 0.0031 0.2512 0.2512
Trichomonas vaginalis heat shock protein, putative 0.0039 0.3835 0.7727
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0491 0.0491
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0016 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6481 0.6481
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.2512 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.1173 0.2363
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0046 0.4963 1
Echinococcus granulosus GPCR family 2 0.0019 0.0491 0.0491
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0046 0.4963 0.4963
Echinococcus granulosus endoplasmin 0.0031 0.2512 0.2512
Schistosoma mansoni endoplasmin 0.0039 0.3835 0.3835
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.2512 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0491 0.0491
Trichomonas vaginalis endoplasmin, putative 0.0024 0.1323 0.2666
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6481 0.6481
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.4963 0.4963
Trichomonas vaginalis heat shock protein, putative 0.0024 0.1323 0.2666
Schistosoma mansoni hypothetical protein 0.0019 0.0491 0.0491
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Trichomonas vaginalis heat shock protein, putative 0.0031 0.2512 0.5061
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.4963 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6481 0.6481
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.6481 0.6481
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.3835 0.7727
Echinococcus granulosus heat shock protein 0.0039 0.3835 0.3835
Schistosoma mansoni heat shock protein 0.0039 0.3835 0.3835
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7303 0.7303
Toxoplasma gondii heat shock protein HSP90 0.0039 0.3835 0.7727
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0031 0.2512 0.2512
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0046 0.4963 0.4963
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.3835 0.7727
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0491 0.0491
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0046 0.4963 1
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0046 0.4963 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.6481 0.6481
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0046 0.4963 1
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.2512 0.5061
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0046 0.4963 0.4963
Schistosoma mansoni hypothetical protein 0.0019 0.0491 0.0491
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0019 0.0491 0.0491
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0491 0.0491
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.3835 0.7727
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Loa Loa (eye worm) hypothetical protein 0.006 0.7303 0.7303
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0046 0.4963 1
Schistosoma mansoni heat shock protein 0.0039 0.3835 0.3835
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0491 0.0491
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium falciparum heat shock protein 90 0.0039 0.3835 0.7727
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Echinococcus multilocularis endoplasmin 0.0031 0.2512 0.2512
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Schistosoma mansoni hypothetical protein 0.0041 0.415 0.415
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Brugia malayi Endoplasmin precursor 0.0039 0.3835 0.3835
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.415 0.415
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.3835 0.7727
Brugia malayi TAR-binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.415 0.415
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium vivax heat shock protein 86, putative 0.0039 0.3835 0.7727
Schistosoma mansoni endoplasmin 0.0039 0.3835 0.3835
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0046 0.4963 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0491 0.0491
Echinococcus multilocularis heat shock protein 90 0.0031 0.2512 0.2512
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.3835 0.7727
Schistosoma mansoni hypothetical protein 0.0019 0.0491 0.0491
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.2512 0.5
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.3835 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.3835 0.7727
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.2512 0.5061
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0046 0.4963 0.4963
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0046 0.4963 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0491 0.0491
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.3835 0.7727
Trichomonas vaginalis heat shock protein, putative 0.0031 0.2512 0.5061
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6481 0.6481
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Echinococcus multilocularis heat shock protein 0.0039 0.3835 0.3835
Plasmodium vivax endoplasmin, putative 0.0039 0.3835 0.7727
Trypanosoma brucei heat shock protein, putative 0.0039 0.3835 0.7727
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi heat shock protein 90 0.0039 0.3835 0.3835
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7303 0.7303
Echinococcus granulosus heat shock protein 90 0.0039 0.3835 0.3835
Loa Loa (eye worm) heat shock protein 90 0.0039 0.3835 0.3835
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.3835 0.7727
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.3835 0.7727
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6481 0.6481
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0046 0.4963 0.4963
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6481 0.6481
Loa Loa (eye worm) endoplasmin 0.0039 0.3835 0.3835
Plasmodium falciparum endoplasmin, putative 0.0024 0.1323 0.2666
Echinococcus multilocularis heat shock protein 90 0.0039 0.3835 0.3835
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7303 0.7303
Schistosoma mansoni hypothetical protein 0.0019 0.0491 0.0491
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6481 0.6481
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.2512 0.5061
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.3835 0.7727
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0046 0.4963 0.4963
Leishmania major heat shock protein 83-1 0.0039 0.3835 0.7727

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.795 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007] ChEMBL. No reference
EC50 (functional) = 19.229 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors of Hsp90. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007, AID434938] ChEMBL. No reference
EC50 (functional) > 59.597 uM PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for activators of the GAA850 frataxin (FXN) promoter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540364, AID588328, AID588350, AID588351] ChEMBL. No reference
EC50 (functional) > 59.597 uM PUBCHEM_BIOASSAY: Counterscreen for activators of the GAA850 frataxin promoter: luminescence-based cell-based high throughput dose response assay to identify activators of the GAA30 frataxin promoter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540364, AID588328, AID588350, AID588351] ChEMBL. No reference
EC50 (functional) > 150 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of Compounds Not in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007, AID434946] ChEMBL. No reference
EC50 (functional) > 180 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors of Calcineurin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007] ChEMBL. No reference
IC50 (functional) = 9.979 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5878 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 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 (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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