Detailed information for compound 1389524

Basic information

Technical information
  • TDR Targets ID: 1389524
  • Name: 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carb oxylic acid
  • MW: 283.345 | Formula: C16H13NO2S
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1sc(c(c1)c1nc2ccccc2c(c1)C(=O)O)C
  • InChi: 1S/C16H13NO2S/c1-9-7-12(10(2)20-9)15-8-13(16(18)19)11-5-3-4-6-14(11)17-15/h3-8H,1-2H3,(H,18,19)
  • InChiKey: DZKJAQDMHRFOIV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylic acid
  • 2-(2,5-dimethyl-3-thienyl)-4-quinolinecarboxylic acid
  • 2-(2,5-dimethyl-3-thienyl)cinchoninic acid
  • Oprea1_485712
  • SMR000299197
  • MLS000626807
  • STK334674

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Plasmodium yoelii heat shock protein 90 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
Candida albicans 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
Leishmania mexicana 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
Echinococcus granulosus heat shock protein 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
Leishmania braziliensis 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
Candida albicans hypothetical 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
Trypanosoma brucei 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
Leishmania major heat shock protein 83-1 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 japonicum Heat shock protein HSP 90-beta, 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
Toxoplasma gondii heat shock protein HSP90 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 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
Trypanosoma brucei gambiense Heat shock protein 83, 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
Toxoplasma gondii 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
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
Leishmania braziliensis 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
Trypanosoma cruzi heat shock protein 85, putative 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
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 HSP 90-alpha, 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
Leishmania major heat shock protein 83-1 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 japonicum Heat shock protein 83, 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
Trypanosoma brucei gambiense Heat shock protein 83, 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
Leishmania major 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
Candida albicans heat shock protein 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
Echinococcus multilocularis heat shock protein 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
Cryptosporidium parvum Hsp90 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 yoelii putative heat shock protein 81-2 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 mexicana 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
Trichomonas vaginalis heat shock protein, 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
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
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 cruzi 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus endoplasmin 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
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
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
Trypanosoma brucei heat shock protein, 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 major heat shock protein 83-1 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
Plasmodium vivax 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
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
Plasmodium vivax heat shock protein 86, 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
Mycobacterium ulcerans 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 83, putative 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
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 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 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
Treponema pallidum heat shock protein 90 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
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
Trypanosoma congolense heat shock protein 90, 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
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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
Trypanosoma brucei heat shock protein, 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 cruzi heat shock protein 90, 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
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 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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
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
Trypanosoma cruzi heat shock protein 85, 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
Leishmania infantum heat shock protein 83-1 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
Trichomonas vaginalis heat shock protein, 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
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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Schistosoma mansoni endoplasmin 0.0039 0.0982 0.0982
Trichomonas vaginalis endoplasmin, putative 0.0024 0.0339 0.3161
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0036 0.0831 0.0831
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.166 0.166
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0252 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0252 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0252 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Schistosoma mansoni thyroid hormone receptor 0.0252 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Brugia malayi steroid hormone receptor 0.0252 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0119 0.4357 0.4357
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0119 0.4357 0.4357
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0133 0.4961 0.4961
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Brugia malayi photoreceptor-specific nuclear receptor 0.0252 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0252 1 1
Onchocerca volvulus 0.0252 1 1
Brugia malayi MH2 domain containing protein 0.0091 0.3191 0.3191
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0982 0.9162
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0041 0.1072 1
Loa Loa (eye worm) DR-78 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Echinococcus granulosus heat shock protein 90 0.0039 0.0982 0.0982
Brugia malayi hypothetical protein 0.0119 0.4357 0.4357
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0119 0.4357 0.4357
Brugia malayi Nuclear hormone receptor E75 0.0119 0.4357 0.4357
Echinococcus granulosus Nuclear hormone receptor HR96 0.0119 0.4357 0.4357
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0252 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0041 0.1072 0.1072
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Brugia malayi nuclear receptor RXR 0.0119 0.4357 0.4357
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0133 0.4961 0.4961
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0252 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0252 1 1
Echinococcus multilocularis endoplasmin 0.0031 0.0643 0.0643
Plasmodium falciparum endoplasmin, putative 0.0024 0.0339 0.3161
Toxoplasma gondii heat shock protein HSP90 0.0039 0.0982 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0133 0.4961 0.4961
Brugia malayi nuclear hormone receptor family member odr-7 0.0119 0.4357 0.4357
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0252 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0252 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0041 0.1072 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0091 0.3191 0.3191
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0041 0.1072 0.1072
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0982 0.9162
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0252 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Brugia malayi RNA recognition motif domain containing protein 0.0043 0.1154 0.1154
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.166 0.166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.166 0.166
Brugia malayi orphan nuclear receptor NR2E1 0.0119 0.4357 0.4357
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.0643 0.6001
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0041 0.1072 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0252 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0252 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0043 0.1154 0.1154
Brugia malayi nuclear hormone receptor 0.0252 1 1
Schistosoma mansoni thyroid hormone receptor 0.0252 1 1
Echinococcus multilocularis heat shock protein 0.0039 0.0982 0.0982
Schistosoma mansoni endoplasmin 0.0039 0.0982 0.0982
Loa Loa (eye worm) RNA binding protein 0.0043 0.1154 0.1154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0252 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0252 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0119 0.4357 0.4357
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0041 0.1072 1
Schistosoma mansoni coup transcription factor 0.0252 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0252 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Plasmodium vivax heat shock protein 86, putative 0.0039 0.0982 0.9162
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.166 0.166
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0041 0.1072 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0252 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0041 0.1072 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0041 0.1072 0.1072
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0041 0.1072 0.1072
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0643 0.6001
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.0643 0.6001
Schistosoma mansoni immunophilin 0.0036 0.0831 0.0831
Echinococcus granulosus heat shock protein 90 0.0031 0.0643 0.0643
Plasmodium falciparum heat shock protein 90 0.0039 0.0982 0.9162
Echinococcus multilocularis thyroid hormone receptor alpha 0.0252 1 1
Leishmania major peptidylprolyl isomerase-like protein 0.0041 0.1072 1
Brugia malayi TAR-binding protein 0.0043 0.1154 0.1154
Loa Loa (eye worm) heat shock protein 90 0.0039 0.0982 0.0982
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0252 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0119 0.4357 0.4357
Echinococcus granulosus Nuclear hormone receptor HR96 0.0119 0.4357 0.4357
Loa Loa (eye worm) endoplasmin 0.0039 0.0982 0.0982
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0252 1 1
Schistosoma mansoni nuclear hormone receptor 0.0119 0.4357 0.4357
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Onchocerca volvulus 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0133 0.4961 0.4961
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0982 0.9162
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0252 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Brugia malayi nuclear receptor NHR-67 0.0119 0.4357 0.4357
Brugia malayi nuclear receptor NHR-88 0.0119 0.4357 0.4357
Leishmania major fk506-binding protein 1-like protein 0.0041 0.1072 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.166 0.166
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.4357 0.4357
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Loa Loa (eye worm) nuclear receptor NHR-67 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0643 0.6001
Brugia malayi heat shock protein 90 0.0039 0.0982 0.0982
Onchocerca volvulus Bile acid receptor homolog 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Schistosoma mansoni nuclear hormone receptor 0.0252 1 1
Trichomonas vaginalis heat shock protein, putative 0.0024 0.0339 0.3161
Schistosoma mansoni tar DNA-binding protein 0.0043 0.1154 0.1154
Schistosoma mansoni immunophilin 0.0041 0.1072 0.1072
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0133 0.4961 0.4961
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Echinococcus granulosus tar DNA binding protein 0.0043 0.1154 0.1154
Loa Loa (eye worm) hypothetical protein 0.0133 0.4961 0.4961
Plasmodium vivax endoplasmin, putative 0.0039 0.0982 0.9162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.166 0.166
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0252 1 1
Schistosoma mansoni tar DNA-binding protein 0.0043 0.1154 0.1154
Brugia malayi Endoplasmin precursor 0.0039 0.0982 0.0982
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0252 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0252 1 1
Echinococcus multilocularis heat shock protein 90 0.0031 0.0643 0.0643
Echinococcus granulosus FTZ F1 alpha 0.0252 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.03 0.2802
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Echinococcus multilocularis tar DNA binding protein 0.0043 0.1154 0.1154
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0252 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0041 0.1072 1
Onchocerca volvulus 0.0119 0.4357 0.4357
Schistosoma mansoni nuclear receptor 0.0119 0.4357 0.4357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.166 0.166
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Loa Loa (eye worm) steroid hormone receptor 0.0252 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0041 0.1072 1
Schistosoma mansoni tar DNA-binding protein 0.0043 0.1154 0.1154
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0036 0.0831 0.0831
Loa Loa (eye worm) transcription factor SMAD2 0.0091 0.3191 0.3191
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.4961 0.4961
Loa Loa (eye worm) FKBP5 protein 0.0041 0.1072 0.1072
Schistosoma mansoni heat shock protein 0.0039 0.0982 0.0982
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.166 0.166
Brugia malayi hypothetical protein 0.0133 0.4961 0.4961
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0252 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0252 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0119 0.4357 0.4357
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.0982 0.9162
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.0982 0.9162
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.0643 0.5
Brugia malayi Nuclear hormone receptor E75 0.0119 0.4357 0.4357
Echinococcus multilocularis ecdysone induced protein 78C 0.0252 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0252 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.4961 0.4961
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.0643 0.5
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0643 0.6001
Onchocerca volvulus Protein ultraspiracle homolog 0.0252 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0252 1 1
Brugia malayi conserved hypotetical protein 0.0119 0.4357 0.4357
Schistosoma mansoni steroid hormone receptor ad4bp 0.0252 1 1
Brugia malayi ecdysone receptor 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Brugia malayi hypothetical protein 0.0119 0.4357 0.4357
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0133 0.4961 0.4961
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Brugia malayi hypothetical protein 0.0133 0.4961 0.4961
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0031 0.0643 0.0643
Brugia malayi nuclear receptor RXR 0.0133 0.4961 0.4961
Schistosoma mansoni nuclear hormone receptor 0.0119 0.4357 0.4357
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0252 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0252 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0982 0.9162
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0119 0.4357 0.4357
Trichomonas vaginalis immunophilin, putative 0.0041 0.1072 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0041 0.1072 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0252 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0119 0.4357 0.4357
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0041 0.1072 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0252 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0119 0.4357 0.4357
Schistosoma mansoni tar DNA-binding protein 0.0043 0.1154 0.1154
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0041 0.1072 0.1072
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0041 0.1072 1
Schistosoma mansoni immunophilin 0.0041 0.1072 0.1072
Schistosoma mansoni nuclear receptor 0.0119 0.4357 0.4357
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0041 0.1072 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0252 1 1
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0133 0.4961 0.4961
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.0982 0.9162
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0252 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0252 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0041 0.1072 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.4961 0.4961
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0041 0.1072 1
Brugia malayi RNA binding protein 0.0043 0.1154 0.1154
Schistosoma mansoni retinoic acid receptor RXR 0.0252 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0252 1 1
Loa Loa (eye worm) TAR-binding protein 0.0043 0.1154 0.1154
Echinococcus multilocularis heat shock protein 90 0.0039 0.0982 0.0982
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0252 1 1
Echinococcus granulosus endoplasmin 0.0031 0.0643 0.0643
Schistosoma mansoni tar DNA-binding protein 0.0043 0.1154 0.1154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.166 0.166
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0119 0.4357 0.4357
Schistosoma mansoni zinc finger protein 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0982 0.9162
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0252 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0041 0.1072 1
Echinococcus granulosus nuclear receptor nhr 48 0.0119 0.4357 0.4357
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0119 0.4357 0.4357
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0252 1 1
Brugia malayi nuclear receptor NHR-88 0.0252 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0982 0.7905
Echinococcus multilocularis nuclear receptor nhr 48 0.0119 0.4357 0.4357
Schistosoma mansoni heat shock protein 0.0039 0.0982 0.0982
Brugia malayi Nuclear hormone receptor-like 1 0.0252 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0982 0.9162
Echinococcus granulosus heat shock protein 0.0039 0.0982 0.0982
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0119 0.4357 0.4357
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.0982 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0041 0.1072 0.1072
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.4357 0.4357
Brugia malayi nuclear hormone receptor 0.0119 0.4357 0.4357
Echinococcus multilocularis fk506 binding protein 0.0041 0.1072 0.1072
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0252 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0119 0.4357 0.4357
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0041 0.1072 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0041 0.1072 0.1072
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0643 0.6001
Brugia malayi Steroid receptor seven-up type 2 0.0252 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.0643 0.5
Leishmania major heat shock protein 83-1 0.0039 0.0982 0.9162
Loa Loa (eye worm) hypothetical protein 0.0252 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0133 0.4961 0.4961
Brugia malayi tailless protein 0.0119 0.4357 0.4357
Trichomonas vaginalis fk506-binding protein, putative 0.0041 0.1072 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0119 0.4357 0.4357
Loa Loa (eye worm) hypothetical protein 0.0036 0.0831 0.0831

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.27 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
Potency (functional) 1.6511 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) 5.6234 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) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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