Detailed information for compound 82691

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.543 | Formula: C20H34NNaO4S
  • H donors: 1 H acceptors: 4 LogP: 5.04 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCS(=O)(=O)N[C@H]1C2CC[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])C2.[Na+]
  • InChi: 1S/C20H35NO4S.Na/c1-2-3-4-9-14-26(24,25)21-20-17-13-12-16(15-17)18(20)10-7-5-6-8-11-19(22)23;/h5,7,16-18,20-21H,2-4,6,8-15H2,1H3,(H,22,23);/q;+1/p-1/b7-5-;/t16-,17?,18+,20+;/m1./s1
  • InChiKey: UMGPVKYPTLPFKW-NYHDUBPFSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax unspecified product 0.0017 0.0186 0.0116
Schistosoma mansoni peptidase 0.0017 0.0186 0.0186
Entamoeba histolytica hypothetical protein 0.0041 0.0526 0.0864
Echinococcus multilocularis jun protein 0.0096 0.1307 0.1269
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.0174 0.0174
Brugia malayi Protein kinase domain containing protein 0.0016 0.0174 0.0114
Schistosoma mansoni amidase 0.0116 0.16 0.16
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0087 0.0021
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0292 0.4116 1
Loa Loa (eye worm) DR-78 0.001 0.0087 0.0019
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0105 0.0061
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0252 0.0209
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0014 0.014 0.0097
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0087 0.0087
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0044 0.0044
Echinococcus granulosus CREB binding protein 0.0086 0.1168 0.1129
Schistosoma mansoni hypothetical protein 0.0078 0.1051 0.1051
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0087 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0252 0.0197
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0252 0.0209
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0252 0.0209
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0252 0.0252
Brugia malayi nuclear hormone receptor 0.001 0.0087 0.0021
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0252 0.0252
Schistosoma mansoni cpg binding protein 0.0029 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0186 0.0371
Plasmodium falciparum lysophospholipase, putative 0.0017 0.0186 0.0116
Brugia malayi MGC79044 protein 0.0017 0.0186 0.0127
Loa Loa (eye worm) amidase 0.0014 0.014 0.0076
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0087 0.0019
Leishmania major hypothetical protein, conserved 0.0017 0.0186 0.0116
Schistosoma mansoni zinc finger protein 0.001 0.0087 0.0087
Plasmodium falciparum BEM46-like protein, putative 0.0017 0.0186 0.0116
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0252 0.0197
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0252 0.0209
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0116 0.16 0.1563
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0252 0.1778
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0359 0.0312
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0825 0.0785
Plasmodium vivax PST-A protein 0.0017 0.0186 0.0116
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0087 0.0043
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0252 0.1778
Leishmania major hypothetical protein, conserved 0.0017 0.0186 0.0116
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Mycobacterium ulcerans hypothetical protein 0.0017 0.0186 0.0116
Echinococcus granulosus CREB binding protein 0.0086 0.1168 0.1129
Brugia malayi nuclear receptor NHR-88 0.0022 0.0252 0.0198
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0252 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0014 0.014 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0096 0.1307 0.1269
Loa Loa (eye worm) hypothetical protein 0.0017 0.0186 0.0126
Plasmodium vivax PST-A protein 0.0017 0.0186 0.0116
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0014 0.014 0.014
Brugia malayi hypothetical protein 0.0041 0.0526 0.0494
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0017 0.0186 0.0116
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0017 0.0186 0.0116
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0017 0.0176 0.0115
Brugia malayi Uncoordinated protein 44 0.0016 0.0174 0.0114
Brugia malayi Amidase family protein 0.0014 0.014 0.0078
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Onchocerca volvulus 0.0022 0.0252 0.1778
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0292 0.4116 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0105 0.0061
Mycobacterium ulcerans hypothetical protein 0.0017 0.0186 0.0116
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0825 0.1723
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0292 0.4116 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0252 0.0197
Onchocerca volvulus 0.0075 0.1014 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0252 0.0198
Echinococcus granulosus Ankyrin 0.0017 0.0176 0.0133
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0252 0.0252
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0825 1
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0017 0.0186 0.0186
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0017 0.0186 0.0116
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0086 0.1168 0.1168
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0186 0.0371
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0252 0.0198
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0087 0.0043
Plasmodium falciparum esterase, putative 0.0017 0.0186 0.0116
Loa Loa (eye worm) hypothetical protein 0.0012 0.0105 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0252 0.0198
Brugia malayi Nuclear hormone receptor E75 0.001 0.0087 0.0021
Brugia malayi nuclear receptor RXR 0.0012 0.0105 0.004
Plasmodium falciparum alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Schistosoma mansoni CREB-binding protein 2 0.0086 0.1168 0.1168
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0017 0.0186 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Schistosoma mansoni cpg binding protein 0.0031 0.0382 0.0382
Loa Loa (eye worm) amidase 0.0014 0.014 0.0076
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0526 0.0484
Schistosoma mansoni microtubule-associated protein tau 0.0703 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0087 0.0043
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0116 0.16 0.1563
Schistosoma mansoni netrin receptor unc5 0.0016 0.0174 0.0174
Trypanosoma cruzi serine peptidase, putative 0.0017 0.0186 0.0116
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0105 0.004
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.0174 0.0131
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0087 0.0043
Echinococcus granulosus cpg binding protein 0.0031 0.0382 0.034
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0087 0.0021
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0069 0.0026
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0252 0.0209
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Brugia malayi ecdysteroid receptor 0.0022 0.0252 0.0198
Echinococcus multilocularis Phospholipase carboxylesterase 0.0017 0.0186 0.0143
Brugia malayi putative amidase 0.0014 0.014 0.0078
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0014 0.014 0.0097
Trypanosoma brucei monoglyceride lipase, putative 0.0292 0.4116 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0252 0.0209
Brugia malayi tailless protein 0.001 0.0087 0.0021
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0017 0.0186 0.0143
Chlamydia trachomatis acyltransferase family protein 0.0017 0.0186 1
Plasmodium vivax PST-A protein 0.0017 0.0186 0.0116
Plasmodium falciparum alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.0174 0.0131
Loa Loa (eye worm) hypothetical protein 0.0093 0.127 0.1294
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0252 0.0198
Onchocerca volvulus Netrin receptor homolog 0.0016 0.0174 0.0939
Echinococcus granulosus death domain containing protein 0.0016 0.0174 0.0131
Schistosoma mansoni fatty-acid amide hydrolase 0.0116 0.16 0.16
Plasmodium falciparum alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0087 0.0043
Plasmodium falciparum esterase, putative 0.0017 0.0186 0.0116
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0186 0.0371
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0017 0.0186 0.0116
Brugia malayi hypothetical protein 0.0012 0.0105 0.004
Brugia malayi Nuclear hormone receptor E75 0.001 0.0087 0.0021
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0017 0.0186 0.0116
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0252 0.1778
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0252 0.0252
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.0186 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0252 0.0197
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0186 0.0116
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0733 0.856
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0096 0.1307 0.1269
Brugia malayi amidase 0.0116 0.16 0.1651
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0252 0.0198
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0174 0.0114
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Loa Loa (eye worm) hypothetical protein 0.0658 0.9345 1
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Brugia malayi small heat shock protein 0.0658 0.9345 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0252 0.0197
Plasmodium vivax unspecified product 0.0017 0.0186 0.0116
Echinococcus granulosus nuclear factor of activated T cells 5 0.0084 0.1139 0.11
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0825 0.1723
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0252 0.0209
Plasmodium vivax PST-A protein 0.0017 0.0186 0.0116
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0087 0.0019
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0017 0.0186 0.0116
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0825 0.1723
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0252 0.0209
Echinococcus granulosus abhydrolase domain containing protein 13 0.0017 0.0186 0.0143
Loa Loa (eye worm) hypothetical protein 0.0017 0.0186 0.0126
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0087 0.0019
Loa Loa (eye worm) hypothetical protein 0.0016 0.0174 0.0113
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0292 0.4116 1
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0087 0.0043
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0252 0.0198
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Mycobacterium tuberculosis Possible lysophospholipase 0.0292 0.4116 1
Schistosoma mansoni nuclear receptor 0.001 0.0087 0.0087
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0014 0.014 0.5
Plasmodium falciparum esterase, putative 0.0292 0.4116 1
Entamoeba histolytica hypothetical protein 0.0041 0.0526 0.0864
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0252 0.0197
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Brugia malayi nuclear receptor NHR-67 0.001 0.0087 0.0021
Echinococcus multilocularis Ankyrin 0.0017 0.0176 0.0133
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0017 0.0186 0.0116
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0292 0.4116 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0252 0.0209
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0252 0.0209
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0105 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0252 0.0198
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0252 0.0252
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0252 0.0198
Loa Loa (eye worm) hypothetical protein 0.0017 0.0186 0.0126
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0292 0.4116 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0252 0.0198
Loa Loa (eye worm) hypothetical protein 0.0017 0.0186 0.0126
Plasmodium falciparum epoxide hydrolase 2 0.0017 0.0186 0.0116
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0186 0.0371
Brugia malayi nuclear receptor RXR 0.001 0.0087 0.0021
Plasmodium falciparum prodrug activation and resistance esterase 0.0017 0.0186 0.0116
Loa Loa (eye worm) hypothetical protein 0.0012 0.0105 0.0038
Echinococcus multilocularis abhydrolase domain containing 3 0.0017 0.0186 0.0143
Brugia malayi nuclear receptor NHR-88 0.001 0.0087 0.0021
Schistosoma mansoni coup transcription factor 0.0022 0.0252 0.0252
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0186 0.0116
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0252 0.0197
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0252 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0252 0.0198
Schistosoma mansoni nuclear hormone receptor 0.001 0.0087 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0252 0.0209
Brugia malayi Amidase family protein 0.0014 0.014 0.0078
Mycobacterium ulcerans lysophospholipase 0.0292 0.4116 1
Echinococcus granulosus jun protein 0.0096 0.1307 0.1269
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0825 0.0785
Mycobacterium ulcerans hypothetical protein 0.0292 0.4116 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0012 0.0105 0.0038
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0252 0.0209
Entamoeba histolytica hypothetical protein 0.0041 0.0526 0.0864
Echinococcus granulosus Phospholipase carboxylesterase 0.0017 0.0186 0.0143
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Schistosoma mansoni hypothetical protein 0.0417 0.5903 0.5903
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0105 0.004
Schistosoma mansoni jun-related protein 0.0078 0.1051 0.1051
Trypanosoma cruzi monoglyceride lipase, putative 0.0292 0.4116 1
Chlamydia trachomatis hydrolase 0.0017 0.0186 1
Brugia malayi Protein C20orf22 0.0017 0.0186 0.0127
Plasmodium falciparum alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0825 0.0825
Echinococcus granulosus fatty acid amide hydrolase 1 0.0116 0.16 0.1563
Plasmodium vivax alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0825 0.1723
Plasmodium vivax lysophospholipase, putative 0.0017 0.0186 0.0116
Trypanosoma cruzi serine peptidase, putative 0.0017 0.0186 0.0116
Brugia malayi MGC83647 protein 0.0017 0.0186 0.0127
Plasmodium falciparum lysophospholipase, putative 0.0017 0.0186 0.0116
Plasmodium falciparum alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Echinococcus multilocularis cpg binding protein 0.0031 0.0382 0.034
Plasmodium falciparum lysophospholipase, putative 0.0292 0.4116 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0105 0.0105
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0186 0.0116
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0017 0.0176 0.0176
Schistosoma mansoni nuclear receptor 0.001 0.0087 0.0087
Plasmodium vivax alpha/beta hydrolase, putative 0.0017 0.0186 0.0116
Echinococcus granulosus dnaJ subfamily B 0.0417 0.5903 0.5885
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0017 0.0186 0.0116
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0017 0.0186 0.0186
Echinococcus granulosus netrin receptor unc 5 0.0016 0.0174 0.0131
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0017 0.0186 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0252 0.0198
Mycobacterium ulcerans hydrolase 0.0017 0.0186 0.0116
Loa Loa (eye worm) CBP-B 0.0086 0.1168 0.1185
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0252 0.0209
Schistosoma mansoni hypothetical protein 0.0041 0.0526 0.0526
Brugia malayi TAZ zinc finger family protein 0.0086 0.1168 0.1186
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0252 0.0198
Plasmodium falciparum exported lipase 1 0.0017 0.0186 0.0116
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0828 0.0828
Schistosoma mansoni fatty-acid amide hydrolase 0.0014 0.014 0.014
Echinococcus multilocularis netrin receptor unc 5 0.0016 0.0174 0.0131
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0087 0.0087
Plasmodium vivax PST-A protein 0.0292 0.4116 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0252 0.0198
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0292 0.4116 1
Echinococcus multilocularis CREB binding protein 0.0086 0.1168 0.1129
Loa Loa (eye worm) hypothetical protein 0.0012 0.0105 0.0038
Loa Loa (eye worm) hypothetical protein 0.0017 0.0186 0.0126
Brugia malayi CXXC zinc finger family protein 0.0029 0.0359 0.0313
Echinococcus granulosus abhydrolase domain containing 3 0.0017 0.0186 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0252 0.0198
Brugia malayi hypothetical protein 0.0012 0.0105 0.004
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0186 0.0371
Schistosoma mansoni cpg binding protein 0.0031 0.0382 0.0382
Plasmodium vivax lysophospholipase, putative 0.0017 0.0186 0.0116
Plasmodium falciparum lysophospholipase, putative 0.0292 0.4116 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0252 0.0198
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0014 0.014 0.0097
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0825 0.0825
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0084 0.1139 0.11
Schistosoma mansoni nuclear hormone receptor 0.001 0.0087 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0292 0.4116 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0252 0.0252
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0186 0.0371
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0186 0.0371
Plasmodium vivax PST-A protein 0.0017 0.0186 0.0116
Brugia malayi hypothetical protein 0.001 0.0087 0.0021
Plasmodium falciparum lysophospholipase, putative 0.0292 0.4116 1
Trypanosoma brucei monoglyceride lipase, putative 0.0292 0.4116 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0087 0.0019
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0087 0.0043
Brugia malayi bZIP transcription factor family protein 0.0096 0.1307 0.1336
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0087 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0087 0.0043
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0069 0.0026
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0087 0.0021
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0186 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0186 0.0371
Onchocerca volvulus 0.0029 0.0359 0.2931
Plasmodium vivax lysophospholipase, putative 0.0017 0.0186 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0292 0.4116 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0116 0.16 0.1563
Leishmania major monoglyceride lipase, putative 0.0292 0.4116 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0526 0.0526
Brugia malayi hypothetical protein 0.0075 0.1014 0.102
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0087 0.0043
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0105 0.0105
Brugia malayi Death domain containing protein 0.0016 0.0174 0.0114
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0017 0.0186 0.0116
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.5903 0.5885
Brugia malayi steroid hormone receptor 0.0022 0.0252 0.0198
Plasmodium falciparum exported lipase 2 0.0017 0.0186 0.0116
Loa Loa (eye worm) hypothetical protein 0.0116 0.16 0.165
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0087 0.0021
Brugia malayi hypothetical protein 0.001 0.0087 0.0021
Echinococcus granulosus fatty acid amide hydrolase 1 0.0014 0.014 0.0097
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0252 0.0209
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0252 0.0209
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0186 0.0371
Loa Loa (eye worm) hypothetical protein 0.0012 0.0105 0.0038
Echinococcus multilocularis microtubule associated protein 2 0.0703 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0252 0.0197
Brugia malayi ecdysone receptor 0.001 0.0087 0.0021
Loa Loa (eye worm) hypothetical protein 0.0022 0.0252 0.0197
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0526 0.0484
Entamoeba histolytica hypothetical protein 0.0041 0.0526 0.0864
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0292 0.4116 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0174 0.0113
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0825 0.1723
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0087 0.0043
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0252 0.0209
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0252 0.0252
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0292 0.4116 1
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0017 0.0186 0.0143
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0252 0.0209
Brugia malayi conserved hypotetical protein 0.001 0.0087 0.0021
Brugia malayi nuclear hormone receptor 0.0022 0.0252 0.0198
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0017 0.0186 0.0116
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0252 0.0252
Schistosoma mansoni hypothetical protein 0.0016 0.0174 0.0174

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 17.2 nM Inhibitory activity against rat thoracic aorta contraction induced by 30 nM U-46619 ChEMBL. 2970551
IC50 (functional) = 19 nM Inhibition of rat washed platelet aggregation induced by 4 microg/mL of collagen ChEMBL. 2970551
IC50 (functional) = 13.3 uM Inhibition of rabbit platelet rich plasma aggregation induced by 500 microM of arachidonic acid ChEMBL. 2970551

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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