Detailed information for compound 1295957

Basic information

Technical information
  • TDR Targets ID: 1295957
  • Name: 2-[2-[2-(4-methoxy-2-prop-2-enylphenoxy)ethox y]ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid
  • MW: 457.516 | Formula: C25H31NO7
  • H donors: 2 H acceptors: 4 LogP: 1.82 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.C=CCc1cc(OC)ccc1OCCOCCN1CCc2c(C1)cccc2
  • InChi: 1S/C23H29NO3.C2H2O4/c1-3-6-20-17-22(25-2)9-10-23(20)27-16-15-26-14-13-24-12-11-19-7-4-5-8-21(19)18-24;3-1(4)2(5)6/h3-5,7-10,17H,1,6,11-16,18H2,2H3;(H,3,4)(H,5,6)
  • InChiKey: KXCRSUKUJCZRMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[2-(2-allyl-4-methoxy-phenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid
  • 2-[2-[2-(2-allyl-4-methoxyphenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid
  • ethanedioic acid; 2-[2-[2-(4-methoxy-2-prop-2-enyl-phenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline
  • MLS000672198
  • SMR000293388
  • 2-{2-[2-(2-allyl-4-methoxyphenoxy)ethoxy]ethyl}-1,2,3,4-tetrahydroisoquinoline oxalate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0214 0.0214
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0113 0.2091 0.2091
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0214 0.0373
Onchocerca volvulus Alhambra homolog 0.0035 0.048 0.0485
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0285
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0285
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0675 0.0675
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0214 0.043
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.3328 0.5
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0027 0.0027
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0514 0.0514
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1271 0.1098
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.048 0.048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0514 0.0325
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0514 0.0514
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0214 0.0214
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0214 0.0373
Brugia malayi Pre-SET motif family protein 0.0037 0.0514 0.0977
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7074 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.204 0.406
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0214 0.002
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0214 0.002
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0214 0.002
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1271 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0214 0.0373
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0474 0.0953
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0214 0.0214
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0767 0.0767
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0214 0.002
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0285
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3328 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1271 0.1271
Loa Loa (eye worm) nuclear hormone receptor 0.0101 0.1846 0.3705
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2143 0.2143
Loa Loa (eye worm) hypothetical protein 0.0037 0.0514 0.1031
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0214 0.043
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1651 0.1485
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0214 0.0214
Schistosoma mansoni hypothetical protein 0.0171 0.3288 0.3155
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0214 0.0373
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0027 0.0027
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.7074 1
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0214 0.0373
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0214 0.002
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0474 0.0898
Brugia malayi jmjC domain containing protein 0.0045 0.0675 0.1304
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.048 0.0964
Echinococcus multilocularis cpg binding protein 0.0037 0.0511 0.0511
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0214 0.002
Loa Loa (eye worm) hypothetical protein 0.0013 0.003 0.006
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.006 0.1002 0.2012
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0214 0.002
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0214 0.0214
Onchocerca volvulus 0.0287 0.5702 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.048 0.0291
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.204 0.4096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0214 0.043
Onchocerca volvulus 0.0037 0.0514 0.0546
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0285
Brugia malayi nuclear receptor NHR-88 0.0022 0.0214 0.0373
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0767 0.0767
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0514 0.0514
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0214 0.0373
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1271 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0214 0.0373
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0214 0.002
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2742 0.5504
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2742 0.5504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7074 1
Echinococcus multilocularis geminin 0.0171 0.3288 0.3288
Schistosoma mansoni hypothetical protein 0.0035 0.048 0.0291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0214 0.043
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0214 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0214 0.0373
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3328 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1258 0.2526
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.048 0.048
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.1315 0.2597
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.1141 0.8349
Brugia malayi CXXC zinc finger family protein 0.0035 0.047 0.0888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0514 0.0325
Onchocerca volvulus 0.0035 0.047 0.0465
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.047 0.0943
Brugia malayi ecdysteroid receptor 0.0022 0.0214 0.0373
Brugia malayi MH2 domain containing protein 0.0144 0.2742 0.5477
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0474 0.0474
Echinococcus granulosus geminin 0.0171 0.3288 0.3288
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.4981 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0214 0.043
Schistosoma mansoni cpg binding protein 0.0037 0.0511 0.0322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0214 0.0214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0514 0.0325
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0214 0.002
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0113 0.2091 0.2091
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0474 0.0474
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Brugia malayi hypothetical protein 0.0036 0.0501 0.0952
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0214 0.0214
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0474 0.0474
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2143 0.2143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0501 0.0501
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.1304 0.1131
Brugia malayi jmjC domain containing protein 0.0115 0.2143 0.4268
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0514 0.0325
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.7074 0.5
Echinococcus multilocularis peregrin 0.0035 0.048 0.048
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0214 0.0214
Schistosoma mansoni cpg binding protein 0.0035 0.047 0.028
Brugia malayi steroid hormone receptor 0.0022 0.0214 0.0373
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.047 0.047
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.048 0.0964
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.204 0.406
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0214 0.0373
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0474 0.0474
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1271 0.1271
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0214 0.0373
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Brugia malayi PHD-finger family protein 0.0035 0.048 0.091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0214 0.043
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0214 0.0214
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0501 0.0501
Plasmodium falciparum phd finger protein, putative 0.0035 0.048 1
Echinococcus granulosus GPCR family 2 0.0035 0.0474 0.0474
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0675 0.049
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0214 0.0214
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0214 0.0373
Echinococcus granulosus cpg binding protein 0.0037 0.0511 0.0511
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0501 0.0312
Echinococcus granulosus peregrin 0.0035 0.048 0.048
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0474 0.0898
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0675 0.049
Schistosoma mansoni hypothetical protein 0.0036 0.0501 0.0312
Brugia malayi Pre-SET motif family protein 0.0252 0.4981 1
Plasmodium vivax SET domain protein, putative 0.0037 0.0514 1
Schistosoma mansoni cpg binding protein 0.0037 0.0511 0.0322
Loa Loa (eye worm) hypothetical protein 0.0075 0.1315 0.2641
Brugia malayi nuclear hormone receptor 0.0022 0.0214 0.0373
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0214 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0214 0.043
Brugia malayi Steroid receptor seven-up type 2 0.0113 0.2091 0.4163
Loa Loa (eye worm) hypothetical protein 0.0102 0.1872 0.3758
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0236 0.0417
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0214 0.0373
Schistosoma mansoni coup transcription factor 0.0022 0.0214 0.002
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0214 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1271 0.1098
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0514 0.042
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0214 0.0214
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0214 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7074 1
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0214 0.0214
Schistosoma mansoni hypothetical protein 0.0171 0.3288 0.3155
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0214 0.0214
Plasmodium vivax hypothetical protein, conserved 0.0035 0.048 0.931
Brugia malayi Bromodomain containing protein 0.0035 0.048 0.091
Loa Loa (eye worm) hypothetical protein 0.011 0.204 0.4096
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0214 0.0373
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0634 0.0634
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0214 0.0373
Loa Loa (eye worm) hypothetical protein 0.0022 0.0214 0.043
Echinococcus multilocularis GPCR, family 2 0.0035 0.0474 0.0474
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0675 0.1355
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0214 0.043
Schistosoma mansoni hypothetical protein 0.0075 0.1315 0.1143
Loa Loa (eye worm) hypothetical protein 0.0035 0.0474 0.0953

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7375 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) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 7.9433 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 (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 13.1154 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) = 14.0919 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS 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 Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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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