Detailed information for compound 1280832

Basic information

Technical information
  • TDR Targets ID: 1280832
  • Name: 3-[(4-methoxyphenyl)sulfonylamino]-4-morpholi n-4-yl-N-(3-morpholin-4-ylpropyl)benzamide
  • MW: 518.626 | Formula: C25H34N4O6S
  • H donors: 2 H acceptors: 3 LogP: 1.46 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)C(=O)NCCCN1CCOCC1
  • InChi: 1S/C25H34N4O6S/c1-33-21-4-6-22(7-5-21)36(31,32)27-23-19-20(3-8-24(23)29-13-17-35-18-14-29)25(30)26-9-2-10-28-11-15-34-16-12-28/h3-8,19,27H,2,9-18H2,1H3,(H,26,30)
  • InChiKey: PWLZOPKDHWHFNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-methoxyphenyl)sulfonylamino]-4-morpholino-N-(3-morpholinopropyl)benzamide
  • 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)benzamide
  • MLS000682431
  • SMR000314912

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Schistosoma mansoni retinoic acid receptor RXR 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Schistosoma mansoni cpg binding protein 0.0066 0.0411 0.0411
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0061 0.0372 0.0372
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0061 0.0372 0.0372
Brugia malayi orphan nuclear receptor NR2E1 0.0029 0.0141 0.0141
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0061 0.0372 0.0372
Toxoplasma gondii histone lysine methyltransferase SET1 0.0129 0.0864 0.0787
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0208
Leishmania major hexokinase, putative 0.1399 1 1
Plasmodium vivax hexokinase, putative 0.1399 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0061 0.0372 0.0372
Entamoeba histolytica hexokinase 1 0.1399 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0208 0.0777
Toxoplasma gondii hexokinase 0.1399 1 1
Brugia malayi MH2 domain containing protein 0.0131 0.0879 0.0879
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0208 0.7184
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0208 1
Loa Loa (eye worm) hypothetical protein 0.0445 0.3136 0.3136
Brugia malayi hypothetical protein 0.0038 0.0208 0.0208
Echinococcus granulosus hexokinase 0.1399 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0084 0.5
Mycobacterium ulcerans hypothetical protein 0.0038 0.0208 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Onchocerca volvulus 0.0038 0.0208 0.0068
Echinococcus multilocularis FTZ F1 alpha 0.0061 0.0372 0.0372
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0208 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0208 0.0777
Mycobacterium ulcerans lipase LipD 0.0038 0.0208 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0159 0.1081 0.1081
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0273 1
Schistosoma mansoni hypothetical protein 0.0012 0.0021 0.0021
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0244 1
Echinococcus multilocularis hexokinase type 2 0.1399 1 1
Brugia malayi ecdysteroid receptor 0.0061 0.0372 0.0372
Onchocerca volvulus 0.0066 0.0411 0.0274
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0623 0.0623
Loa Loa (eye worm) nuclear hormone receptor 0.0029 0.0141 0.0141
Schistosoma mansoni hypothetical protein 0.0941 0.6706 0.6706
Loa Loa (eye worm) hypothetical protein 0.105 0.7489 0.7489
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0061 0.0372 0.0372
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0208 0.7184
Onchocerca volvulus Protein ultraspiracle homolog 0.0061 0.0372 0.0234
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0166
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0126 0.0042
Plasmodium falciparum hexokinase 0.1399 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0061 0.0372 0.0372
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0061 0.0372 0.0372
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0172 0.1172 0.1172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0623 0.0623
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0623 0.0623
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0273 0.019
Leishmania major hypothetical protein, conserved 0.0027 0.0126 0.0042
Onchocerca volvulus Bile acid receptor homolog 0.0061 0.0372 0.0234
Brugia malayi nuclear hormone receptor family member odr-7 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Brugia malayi Muscleblind-like protein 0.0172 0.1172 0.1172
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0879 0.0879
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0061 0.0372 0.0372
Onchocerca volvulus 0.0038 0.0208 0.0068
Brugia malayi nuclear receptor NHR-67 0.0029 0.0141 0.0141
Onchocerca volvulus 0.1399 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0208 0.0208
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0084 0.1786
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0208 0.0777
Brugia malayi hypothetical protein 0.0029 0.0141 0.0141
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6979 0.6979
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0244 0.0162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0061 0.0372 0.0372
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0061 0.0372 0.0372
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0141 0.0141
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.0166 0.0166
Onchocerca volvulus 0.0061 0.0372 0.0234
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0208
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0141 0.0141
Brugia malayi steroid hormone receptor 0.0061 0.0372 0.0372
Loa Loa (eye worm) hexokinase 0.1399 1 1
Loa Loa (eye worm) histone methyltransferase 0.002 0.0083 0.0083
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.0166 0.0166
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0054 0.0054
Brugia malayi nuclear receptor RXR 0.0032 0.0166 0.0166
Brugia malayi beta-lactamase 0.0038 0.0208 0.0208
Trypanosoma brucei hexokinase, putative 0.1399 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0029 0.0141 0.0141
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0061 0.0372 0.0372
Schistosoma mansoni nuclear receptor 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0208
Treponema pallidum hexokinase (hxk) 0.1399 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0061 0.0372 0.0372
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.0372 0.0372
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0061 0.0372 0.0372
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1079 0.7695 0.7695
Echinococcus granulosus thyroid hormone receptor alpha 0.0029 0.0141 0.0141
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0166 0.0166
Mycobacterium leprae Probable lipase LipE 0.0038 0.0208 0.5
Schistosoma mansoni hexokinase 0.1399 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0061 0.0372 0.0372
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0208 0.0777
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0061 0.0372 0.0372
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0166
Echinococcus granulosus cpg binding protein 0.007 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0273 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0208 0.0125
Entamoeba histolytica hexokinase 2 0.1399 1 1
Echinococcus multilocularis hexokinase 0.1399 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.1675 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0499 0.3522 0.3522
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0061 0.0372 0.0372
Brugia malayi nuclear hormone receptor 0.0061 0.0372 0.0372
Loa Loa (eye worm) nuclear receptor NHR-67 0.0029 0.0141 0.0141
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0208 0.0208
Schistosoma mansoni thyroid hormone receptor 0.0061 0.0372 0.0372
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0623 0.0623
Brugia malayi hypothetical protein 0.0032 0.0166 0.0166
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0208 0.0208
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0879 0.0879
Loa Loa (eye worm) hexokinase type II 0.1399 1 1
Echinococcus multilocularis muscleblind protein 1 0.0172 0.1172 0.1172
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Leishmania major hexokinase, putative 0.1399 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0061 0.0372 0.0372
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Echinococcus granulosus tumor protein p63 0.069 0.4898 0.4898
Schistosoma mansoni hypothetical protein 0.0038 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0445 0.3136 0.3136
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0208 0.0777
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0141 0.0141
Brugia malayi hexokinase type II 0.0445 0.3136 0.3136
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0083 0.0083
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0054 0.0054
Echinococcus granulosus ecdysone induced protein 78C 0.0061 0.0372 0.0372
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1111 0.7925 0.7895
Brugia malayi nuclear receptor RXR 0.0029 0.0141 0.0141
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0061 0.0372 0.0372
Brugia malayi conserved hypotetical protein 0.0029 0.0141 0.0141
Schistosoma mansoni microtubule-associated protein tau 0.0794 0.5647 0.5647
Echinococcus multilocularis muscleblind protein 0.0172 0.1172 0.1172
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0141 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0623 0.0623
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0208 0.0125
Echinococcus multilocularis hexokinase 0.1399 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.0166 0.0166
Schistosoma mansoni ap endonuclease 0.0021 0.0084 0.0084
Schistosoma mansoni cpg binding protein 0.007 0.0438 0.0438
Brugia malayi CXXC zinc finger family protein 0.0066 0.0411 0.0411
Schistosoma mansoni nuclear receptor 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0954 0.68 0.68
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0208 0.0777
Echinococcus multilocularis nuclear receptor nhr 48 0.0029 0.0141 0.0141
Loa Loa (eye worm) hexokinase 0.0878 0.625 0.625
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0061 0.0372 0.0372
Toxoplasma gondii ABC1 family protein 0.0038 0.0208 0.0125
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0029 0.0141 0.0141
Schistosoma mansoni nuclear hormone receptor 0.0061 0.0372 0.0372
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0021 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0623 0.0623
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0061 0.0372 0.0372
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.0372 0.0372
Onchocerca volvulus 0.0101 0.0662 0.0528
Mycobacterium ulcerans beta-lactamase 0.0038 0.0208 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0054 0.0054
Echinococcus granulosus muscleblind protein 0.0172 0.1172 0.1172
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0273 0.019
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0141 0.0141
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0061 0.0372 0.0372
Brugia malayi hypothetical protein 0.0029 0.0141 0.0141
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0273 0.019
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0029 0.0141 0.0141
Brugia malayi ecdysone receptor 0.0029 0.0141 0.0141
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0141 0.0141
Brugia malayi nuclear hormone receptor 0.1079 0.7695 0.7695
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0208
Brugia malayi hypothetical protein 0.0032 0.0166 0.0166
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0061 0.0372 0.0372
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0054 0.0054
Loa Loa (eye worm) beta-lactamase 0.0038 0.0208 0.0208
Trypanosoma brucei hexokinase 0.1399 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0623 0.0623
Brugia malayi nuclear receptor NHR-88 0.0029 0.0141 0.0141
Leishmania major hypothetical protein, conserved 0.0038 0.0208 0.0125
Brugia malayi Hexokinase family protein 0.0433 0.305 0.305
Echinococcus multilocularis ecdysone induced protein 78C 0.0061 0.0372 0.0372
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0126 0.0042
Echinococcus granulosus nuclear receptor nhr 48 0.0029 0.0141 0.0141
Loa Loa (eye worm) hexokinase 0.1399 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0141 0.0141
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0273 0.0273
Onchocerca volvulus Hexokinase homolog 0.0878 0.625 0.6196
Brugia malayi photoreceptor-specific nuclear receptor 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0166
Brugia malayi acetyltransferase, GNAT family protein 0.0159 0.1081 0.1081
Schistosoma mansoni coup transcription factor 0.0061 0.0372 0.0372
Echinococcus multilocularis geminin 0.0205 0.1407 0.1407
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0126 0.0042
Entamoeba histolytica hypothetical protein 0.0038 0.0208 0.0124
Trypanosoma cruzi hexokinase, putative 0.1399 1 1
Trypanosoma cruzi hexokinase, putative 0.1399 1 1
Trichomonas vaginalis esterase, putative 0.0038 0.0208 0.7184
Echinococcus granulosus hexokinase 0.1399 1 1
Brugia malayi Hexokinase family protein 0.0878 0.625 0.625
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0061 0.0372 0.0372
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0208 0.0208
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0061 0.0372 0.0372
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0061 0.0372 0.0372
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0141 0.0141
Echinococcus granulosus geminin 0.0205 0.1407 0.1407
Onchocerca volvulus 0.0038 0.0208 0.0068
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.0372 0.0372
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0084 0.0084
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.0166 0.0166
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0172 0.1172 0.1172
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0166
Echinococcus multilocularis thyroid hormone receptor alpha 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0166 0.0166
Schistosoma mansoni nuclear receptor nhr-48 0.0029 0.0141 0.0141
Schistosoma mansoni ap endonuclease 0.0021 0.0084 0.0084
Schistosoma mansoni mixed-lineage leukemia protein mll 0.014 0.0944 0.0944
Echinococcus multilocularis cpg binding protein 0.007 0.0438 0.0438
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0126 0.0042
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Brugia malayi follicle stimulating hormone receptor 0.0499 0.3522 0.3522
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0208 0.0125
Loa Loa (eye worm) steroid hormone receptor 0.0061 0.0372 0.0372
Entamoeba histolytica hypothetical protein 0.0038 0.0208 0.0124
Echinococcus multilocularis dnaJ subfamily B 0.0941 0.6706 0.6706
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0027 0.0126 0.0126
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0208 0.7184
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0083 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0061 0.0372 0.0372
Onchocerca volvulus 0.0878 0.625 0.6196
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0208 0.0777
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0084 0.0084
Brugia malayi tailless protein 0.0029 0.0141 0.0141
Echinococcus multilocularis tumor protein p63 0.069 0.4898 0.4898
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0159 0.1081 0.1081
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0208 0.0777
Brugia malayi Steroid receptor seven-up type 2 0.0061 0.0372 0.0372
Brugia malayi beta-lactamase family protein 0.0038 0.0208 0.0208
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0126 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0623 0.0623
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0166 0.0166
Echinococcus multilocularis hexokinase 0.1399 1 1
Schistosoma mansoni cpg binding protein 0.007 0.0438 0.0438
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0208 0.0208
Schistosoma mansoni hypothetical protein 0.0205 0.1407 0.1407
Onchocerca volvulus 0.1399 1 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0208 0.0777
Echinococcus granulosus hexokinase type 2 0.1399 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0208 0.0125
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Onchocerca volvulus 0.1399 1 1
Echinococcus granulosus FTZ F1 alpha 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.0372 0.0372
Loa Loa (eye worm) DR-78 0.0029 0.0141 0.0141
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0126 0.0042
Echinococcus granulosus dnaJ subfamily B 0.0941 0.6706 0.6706
Echinococcus granulosus histone acetyltransferase KAT2B 0.0155 0.1049 0.1049
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0054 0.0054
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0208 0.7184
Trypanosoma brucei hexokinase 0.1399 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0208 0.0208
Brugia malayi hypothetical protein 0.0027 0.0126 0.0126
Schistosoma mansoni zinc finger protein 0.0029 0.0141 0.0141
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0141 0.0141
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0061 0.0372 0.0372
Mycobacterium tuberculosis Conserved protein 0.0038 0.0208 0.0777
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0004 0.0004
Brugia malayi beta-lactamase family protein 0.0038 0.0208 0.0208
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0084 0.1786
Loa Loa (eye worm) CXXC zinc finger family protein 0.0066 0.0411 0.0411
Echinococcus granulosus hexokinase 0.1399 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0061 0.0372 0.0372
Schistosoma mansoni RAR-like nuclear receptor 0.0061 0.0372 0.0372
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0021 0.0021
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.0372 0.0372
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0208
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0126 0.0042
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.0166
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0208 0.7184
Schistosoma mansoni thyroid hormone receptor 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0101 0.0662 0.0662
Echinococcus granulosus microtubule associated protein 2 0.0794 0.5647 0.5647
Entamoeba histolytica hypothetical protein 0.0038 0.0208 0.0124
Loa Loa (eye worm) acetyltransferase 0.0159 0.1081 0.1081
Brugia malayi Hexokinase family protein 0.1399 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0794 0.5647 0.5647
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0061 0.0372 0.0372
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.0662 0.0662
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Loa Loa (eye worm) hexokinase 0.0433 0.305 0.305
Schistosoma mansoni hypothetical protein 0.0205 0.1407 0.1407
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0244 0.0162
Brugia malayi nuclear receptor NHR-88 0.0061 0.0372 0.0372
Brugia malayi hypothetical protein 0.0017 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0038 0.0208 0.0124
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0061 0.0372 0.0372
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0061 0.0372 0.0372
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0208 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0061 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0061 0.0372 0.0372
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0029 0.0141 0.0141

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 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) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 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) 79.4328 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 Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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.
 
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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