Detailed information for compound 1651300

Basic information

Technical information
  • TDR Targets ID: 1651300
  • Name: 2-(dimethylaminomethyl)-3-[(Z)-heptadec-10-en yl]-5-methoxybenzene-1,4-diol hydrochloride
  • MW: 470.128 | Formula: C27H48ClNO3
  • H donors: 2 H acceptors: 2 LogP: 9.81 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCC/C=C\CCCCCCCCCc1c(CN(C)C)c(O)cc(c1O)OC.Cl
  • InChi: 1S/C27H47NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(22-28(2)3)25(29)21-26(31-4)27(23)30;/h10-11,21,29-30H,5-9,12-20,22H2,1-4H3;1H/b11-10-;
  • InChiKey: IMAKMGXLOYZUNP-GMFCBQQYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(dimethylaminomethyl)-3-[(Z)-heptadec-10-enyl]-5-methoxy-benzene-1,4-diol hydrochloride
  • 2-(dimethylaminomethyl)-3-[(Z)-heptadec-10-enyl]-5-methoxy-hydroquinone hydrochloride
  • 1,4-Hydroquinone-2-methoxy-5-dimethylaminomethyl-6-(10-heptadecenyl)-(Z)-, hydrochloride
  • NSC630004

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
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0024 0.0024
Brugia malayi phosphofructokinase 0.0109 0.1471 0.5022
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0308 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0024 0.0081
Plasmodium vivax SET domain protein, putative 0.003 0.0315 0.7937
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0191 0.2677 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0308 0.0918
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0191 0.2677 0.9138
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0396 0.1481
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0445 0.1719
Loa Loa (eye worm) Smad1 0.0009 0.0002 0.0006
Brugia malayi MH1 domain containing protein 0.0009 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0336 0.1146
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0396 0.0396
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.1471 0.5682
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0396 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0315 0.0315
Brugia malayi Pre-SET motif family protein 0.0208 0.293 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0024 0.0024
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0396 0.0396
Brugia malayi Smad1 0.0009 0.0002 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0024 0.0081
Schistosoma mansoni hypothetical protein 0.0167 0.2323 0.2323
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0024 0.0024
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0396 0.1353
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1471 0.439
Mycobacterium ulcerans 6-phosphofructokinase 0.0109 0.1471 0.5495
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0396 0.124
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.081 0.3026
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.293 1
Echinococcus granulosus Smad4 0.0009 0.0002 0.0002
Mycobacterium leprae Probable lipase LipE 0.0035 0.0396 0.1552
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1768 0.1768
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0445 0.0445
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0167 0.0644
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0024 0.0081
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.081 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.081 0.081
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0315 0.0315
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1471 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0002 0.0002
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1471 0.5022
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0396 0.1552
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0024 0.0081
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0024 0.0024
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0024 0.0081
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0308 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0183 0.2554 0.7989
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0167 0.0522
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0024 0.0024
Mycobacterium ulcerans beta-lactamase 0.0035 0.0396 0.1481
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0396 0.0396
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0167 0.1134
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.081 0.081
Echinococcus multilocularis smad 0.0009 0.0002 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0315 0.0315
Loa Loa (eye worm) beta-lactamase 0.0035 0.0396 0.1353
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1328 0.4532
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0024 0.0081
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0024 0.0071
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0024 0.0081
Brugia malayi MH1 domain containing protein 0.0009 0.0002 0.0006
Schistosoma mansoni FFA transport protein 0.0185 0.259 0.259
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0445 0.1328
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0315 0.3885
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0024 0.0024
Echinococcus granulosus geminin 0.0167 0.2323 0.2323
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.081 0.2534
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0167 0.0498
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1471 0.439
Schistosoma mansoni thyroid hormone receptor 0.001 0.0024 0.0024
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0308 0.0918
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0024 0.0024
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0024 0.0024
Onchocerca volvulus 0.003 0.0315 0.0939
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1471 0.439
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0445 0.0445
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1471 0.1471
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.0445 0.0445
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0396 0.124
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0167 0.1134
Schistosoma mansoni smad1 5 8 and 0.0009 0.0002 0.0002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.1768 0.6035
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Brugia malayi AMP-binding enzyme family protein 0.0191 0.2677 0.9138
Brugia malayi 6-phosphofructokinase 0.0109 0.1471 0.5022
Mycobacterium tuberculosis Conserved protein 0.0035 0.0396 0.124
Leishmania major fatty acid transporter protein-like protein 0.0183 0.2554 1
Schistosoma mansoni hypothetical protein 0.0031 0.0336 0.0336
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0167 0.0644
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.1353
Schistosoma mansoni coup transcription factor 0.001 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0031 0.0336 0.0336
Schistosoma mansoni Smad4 0.0009 0.0002 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0024 0.0081
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0396 0.1531
Onchocerca volvulus 0.0035 0.0396 0.1183
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0396 0.1481
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0315 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0024 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0024 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0024 0.0081
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.1353
Loa Loa (eye worm) hypothetical protein 0.0039 0.0445 0.1519
Schistosoma mansoni microtubule-associated protein tau 0.0691 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.081 0.3171
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0024 0.0081
Echinococcus multilocularis microtubule associated protein 2 0.0691 1 1
Echinococcus granulosus smad 0.0009 0.0002 0.0002
Brugia malayi nuclear hormone receptor 0.001 0.0024 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0308 0.0918
Loa Loa (eye worm) hypothetical protein 0.003 0.0315 0.1074
Loa Loa (eye worm) TAR-binding protein 0.0129 0.1768 0.6035
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0167 0.0167
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1471 0.1471
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.081 0.3026
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0024 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0308 0.0918
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.1353
Toxoplasma gondii ABC1 family protein 0.0035 0.0396 0.4895
Schistosoma mansoni hypothetical protein 0.0167 0.2323 0.2323
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0396 0.124
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0308 0.3797
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0024 0.0081
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1712 0.5842
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0109 0.1471 0.4602
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1712 0.5842
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0167 0.0623
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0445 0.1328
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.081 0.081
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0396 0.2695
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0167 0.0498
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.1471 0.5761
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0068 0.0869 0.2965
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0445 0.1719
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.1471 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.081 0.081
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0024 0.0024
Brugia malayi nuclear receptor NHR-88 0.001 0.0024 0.0081
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0445 0.1743
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0024 0.0081
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0002 0.0002
Mycobacterium tuberculosis Conserved protein 0.0035 0.0396 0.124
Onchocerca volvulus 0.0035 0.0396 0.1183
Brugia malayi RNA binding protein 0.0129 0.1768 0.6035
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0308 0.5
Schistosoma mansoni nuclear hormone receptor 0.001 0.0024 0.0024
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0002 0.0002
Echinococcus granulosus FTZ F1 alpha 0.001 0.0024 0.0024
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0024 0.0081
Echinococcus multilocularis Smad4 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0099 0.1328 0.4532
Brugia malayi ecdysteroid receptor 0.001 0.0024 0.0081
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0396 0.124
Brugia malayi MH2 domain containing protein 0.0125 0.1712 0.5842
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0167 0.0569
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0024 0.0024
Trichomonas vaginalis esterase, putative 0.0035 0.0396 0.1183
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.1353
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0024 0.0024
Brugia malayi steroid hormone receptor 0.001 0.0024 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0308 0.0918
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0185 0.259 0.259
Brugia malayi TAR-binding protein 0.0129 0.1768 0.6035
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0109 0.1471 0.5761
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0396 0.1183
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1328 0.4532
Echinococcus multilocularis GPCR, family 2 0.0031 0.0336 0.0336
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0315 0.0315
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0445 0.0445
Onchocerca volvulus 0.001 0.0024 0.0071
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0024 0.0081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0024 0.0024
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0336 0.0336
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0445 0.3025
Trichomonas vaginalis set domain proteins, putative 0.0237 0.3352 1
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.1768 0.6035
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Schistosoma mansoni ap endonuclease 0.002 0.0167 0.0167
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0024 0.0024
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0024 0.0024
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0308 0.7757
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0002 0.0006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0024 0.0024
Schistosoma mansoni thyroid hormone receptor 0.001 0.0024 0.0024
Schistosoma mansoni smad 0.0009 0.0002 0.0002
Brugia malayi 6-phosphofructokinase 0.0109 0.1471 0.5022
Schistosoma mansoni smad1 5 8 and 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0167 0.0167
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0024 0.0024
Brugia malayi MH2 domain containing protein 0.0009 0.0002 0.0006
Brugia malayi beta-lactamase family protein 0.0035 0.0396 0.1353
Schistosoma mansoni hypothetical protein 0.0068 0.0869 0.0869
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0396 0.1183
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0167 0.0569
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0396 0.0396
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.1471 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0185 0.259 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0396 0.1481
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0024 0.0071
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0396 0.124
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.1353
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.081 0.3026
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0308 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0308 0.0918
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0299 0.0299
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0167 0.5423
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0024 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0024 0.0081
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0031 0.0336 0.1146
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0336 0.1146
Mycobacterium tuberculosis Conserved protein 0.0035 0.0396 0.124
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0445 0.1328
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0167 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1328 0.4532
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0336 0.0336
Brugia malayi beta-lactamase family protein 0.0035 0.0396 0.1353
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0002 0.0002
Onchocerca volvulus 0.0149 0.2058 0.614
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0024 0.0081
Echinococcus granulosus GPCR family 2 0.0031 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Loa Loa (eye worm) hypothetical protein 0.0149 0.2058 0.7024
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0024 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0396 0.1531
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0024 0.0081
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0445 0.0445
Echinococcus granulosus long chain fatty acid transport protein 4 0.0185 0.259 0.259
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.1353
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1471 1
Loa Loa (eye worm) phosphofructokinase 0.0109 0.1471 0.5022
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0002 0.0006
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0308 0.7757
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0396 0.124
Echinococcus granulosus tar DNA binding protein 0.0129 0.1768 0.1768
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0024 0.0024
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1471 0.439
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.0445 0.0445
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1768 0.1768
Brugia malayi beta-lactamase 0.0035 0.0396 0.1353
Echinococcus multilocularis geminin 0.0167 0.2323 0.2323
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0024 0.0081
Onchocerca volvulus 0.0237 0.3352 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0396 0.1481
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.3197 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0396 0.1353
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0308 0.209
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0024 0.0071
Schistosoma mansoni ap endonuclease 0.002 0.0167 0.0167
Brugia malayi hypothetical protein 0.0149 0.2058 0.7024
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0185 0.259 1
Leishmania major hypothetical protein, conserved 0.0035 0.0396 0.1552
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0167 0.0653
Brugia malayi Pre-SET motif family protein 0.003 0.0315 0.1074
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0336 0.0336
Schistosoma mansoni hypothetical protein 0.0031 0.0336 0.0336
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0024 0.0024
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1768 0.1768
Onchocerca volvulus 0.0035 0.0396 0.1183
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.0445 0.0445
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0024 0.0024
Brugia malayi MH2 domain containing protein 0.0009 0.0002 0.0006
Schistosoma mansoni hypothetical protein 0.0031 0.0336 0.0336
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.0445 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0396 0.1183
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1471 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0024 0.0081
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.0445 0.0445
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0308 0.3797
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.1471 0.1471
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0308 0.3797
Schistosoma mansoni smad1 5 8 and 0.0009 0.0002 0.0002
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0396 0.124
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0167 0.4207
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0445 0.1519
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0336 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0024 0.0081
Loa Loa (eye worm) RNA binding protein 0.0129 0.1768 0.6035
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0024 0.0024
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0024 0.0024
Toxoplasma gondii exonuclease III APE 0.002 0.0167 0.2059
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1768 0.1768
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0396 0.1183
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.1471 0.1471
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0315 0.0315
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0002 0.0002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0024 0.0081
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0024 0.0024
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.0445 0.3025
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0869 0.2965
Echinococcus multilocularis tar DNA binding protein 0.0129 0.1768 0.1768
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0336 0.1146
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0081
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0308 0.1079
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0308 0.0918
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0308 0.5057
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0183 0.2554 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1471 0.5022
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0396 0.1183
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0024 0.0024

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.797 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.376 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.316 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.276 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.267 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.065 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.971 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.887 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.746 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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