Detailed information for compound 1482382

Basic information

Technical information
  • TDR Targets ID: 1482382
  • Name: methyl (1S,5R)-3-(1-benzofuran-2-yl)-8-(4-met hylpiperidine-1-carbonyl)-8-azabicyclo[3.2.1] oct-3-ene-4-carboxylate
  • MW: 408.49 | Formula: C24H28N2O4
  • H donors: 0 H acceptors: 2 LogP: 3.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C[C@H]2N([C@@H]1CC2)C(=O)N1CCC(CC1)C)c1cc2c(o1)cccc2
  • InChi: 1S/C24H28N2O4/c1-15-9-11-25(12-10-15)24(28)26-17-7-8-19(26)22(23(27)29-2)18(14-17)21-13-16-5-3-4-6-20(16)30-21/h3-6,13,15,17,19H,7-12,14H2,1-2H3/t17-,19+/m0/s1
  • InChiKey: USFBQCRAPLMPCD-PKOBYXMFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (1S,5R)-3-(benzofuran-2-yl)-8-(4-methylpiperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate
  • (1S,5R)-3-(2-benzofuranyl)-8-[(4-methyl-1-piperidinyl)-oxomethyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester
  • (1S,5R)-3-(benzofuran-2-yl)-8-(4-methylpiperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester
  • methyl (1S,5R)-3-(1-benzofuran-2-yl)-8-(4-methylpiperidin-1-yl)carbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus GLI-Kruppel family member GLI1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus multilocularis zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Loa Loa (eye worm) zinc finger protein Get druggable targets OG5_130785 All targets in OG5_130785
Brugia malayi Zinc finger, C2H2 type family protein Get druggable targets OG5_130785 All targets in OG5_130785
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0148 0.0106
Schistosoma mansoni hypothetical protein 0.0205 0.273 0.2902
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0663 0.0658
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.043 0.5939 0.5939
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0314 0.0927
Echinococcus granulosus zinc finger transcription factor gli2 0.0373 0.5136 0.5457
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0146 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0146 0.014
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0691 0.0723
Schistosoma mansoni alpha-glucosidase 0.0136 0.1756 0.1861
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0146 0.0146
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0146 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0146 1
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0137 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0311 0.0281
Schistosoma mansoni vesicular acetylcholine transporter 0.043 0.5939 0.6332
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0965 0.0982
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0146 0.0146
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0041 0.04 0.04
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1232 0.1302
Echinococcus multilocularis geminin 0.0205 0.273 0.2875
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.339 0.339
Brugia malayi TAR-binding protein 0.0062 0.0691 0.0691
Schistosoma mansoni hypothetical protein 0.002 0.0099 0.0091
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0314 0.0927
Schistosoma mansoni DNA polymerase eta 0.0023 0.0146 0.014
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0085 0.0076
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.9371 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.339 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0314 0.0927
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0314 0.0284
Schistosoma mansoni alpha-glucosidase 0.0136 0.1756 0.1861
Brugia malayi hypothetical protein 0.0024 0.0163 0.0163
Echinococcus multilocularis dna polymerase eta 0.0023 0.0146 0.0103
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0163 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0691 0.0723
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0137 0.673
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.207 0.2167
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0314 0.0927
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0043 0.0043
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0671 0.0671
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.0759 0.224
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0163 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0691 0.0691
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0137 0.5
Echinococcus granulosus zinc finger protein 0.0021 0.0107 0.0062
Echinococcus multilocularis vesicular acetylcholine transporter 0.043 0.5939 0.6318
Echinococcus granulosus dnaJ subfamily B 0.0397 0.5478 0.5824
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0314 0.0314
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0146 0.0103
Echinococcus multilocularis cpg binding protein 0.0031 0.026 0.0226
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0085 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.2287 0.6745
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0314 0.0314
Echinococcus granulosus geminin 0.0205 0.273 0.2875
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1868 0.1868
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.2287 0.6745
Echinococcus multilocularis zinc finger transcription factor gli2 0.0373 0.5136 0.5457
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0601 0.0591
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0365 0.502 0.502
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0146 0.043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0085 0.0038
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.1232 0.1269
Leishmania major C-8 sterol isomerase-like protein 0.0715 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0085 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0043 0.0043
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0137 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0085 0.0038
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.216 0.3638
Entamoeba histolytica hypothetical protein 0.0023 0.0137 0.4372
Trypanosoma brucei C-8 sterol isomerase, putative 0.0715 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0085 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.0076
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0085 0.0584
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0314 0.0927
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0085
Schistosoma mansoni bromodomain containing protein 0.0063 0.0713 0.0746
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0311 0.0281
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0148 0.0143
Trypanosoma brucei ISWI complex protein 0.0015 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0081 0.0965 0.0965
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0085 0.0584
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0691 0.0723
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0085 0.0038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.0759 0.0796
Brugia malayi PHD-finger family protein 0.0026 0.0181 0.0181
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Loa Loa (eye worm) hypothetical protein 0.0043 0.0427 0.0427
Echinococcus granulosus cpg binding protein 0.0031 0.026 0.0226
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0085 0.0085
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.1232 0.1269
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0657 0.0687
Loa Loa (eye worm) RNA binding protein 0.0062 0.0691 0.0691
Loa Loa (eye worm) hypothetical protein 0.0023 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0066 0.0759 0.0759
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0601 0.0601
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0163 0.1218
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0601 0.0601
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.1232 0.1269
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.339 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0691 0.0691
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0037 0.0345 0.0345
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0146 0.0103
Brugia malayi RNA binding protein 0.0062 0.0691 0.0691
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Brugia malayi hypothetical protein 0.0016 0.0039 0.0039
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0085 0.0038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1232 0.1302
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.06 0.4808
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.0076
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0137 0.0137
Brugia malayi Bromodomain containing protein 0.0074 0.0875 0.0875
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0085 0.0038
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0314 0.0314
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0965 0.1016
Echinococcus multilocularis dnaJ subfamily B 0.0397 0.5478 0.5824
Onchocerca volvulus 0.0092 0.1119 0.1883
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0601 0.0627
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0146 0.4636
Trypanosoma brucei unspecified product 0.0023 0.0146 0.0146
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0137 0.1011
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0314 0.0927
Brugia malayi vesicular acetylcholine transporter unc-17 0.043 0.5939 0.5939
Leishmania major DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Schistosoma mansoni cpg binding protein 0.0031 0.026 0.0263
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.004 0.0378 0.0378
Brugia malayi Melibiase family protein 0.0066 0.0759 0.0759
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0965 0.0965
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0146 0.0146
Giardia lamblia DINP protein human, muc B family 0.0023 0.0146 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0058 0.0009
Echinococcus granulosus dna polymerase kappa 0.0023 0.0146 0.0103
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0085 0.0085
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0146 0.014
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0146 0.0146
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0137 0.8623
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.339 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0085 0.0085
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0146 0.0146
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0137 0.673
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0058 0.0058
Leishmania major hypothetical protein, conserved 0.0015 0.0025 0.0025
Schistosoma mansoni zinc finger protein 0.0021 0.0107 0.0099
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0314 0.0927
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0085 0.0085
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0137 0.5
Brugia malayi Bromodomain containing protein 0.0037 0.0344 0.0344
Loa Loa (eye worm) hypothetical protein 0.0715 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0069 0.0793 0.0793
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0058 0.0009
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.005 0.0038
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0085 0.0038
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0146 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0691 0.0723
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.005 0.0038
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.207 0.207
Leishmania major hypothetical protein, conserved 0.0024 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0015 0.0025 0.0012
Echinococcus multilocularis neuropeptide receptor A26 0.0449 0.6218 0.6618
Brugia malayi MH2 domain containing protein 0.0144 0.1868 0.1868
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0085 0.0038
Onchocerca volvulus 0.0234 0.3147 0.5299
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.207 0.2167
Trypanosoma cruzi ISWI complex protein 0.0015 0.0025 0.0025
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0146 0.0146
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0146 0.0103
Echinococcus granulosus microtubule associated protein 2 0.0671 0.9371 1
Echinococcus granulosus neuropeptide receptor A26 0.0449 0.6218 0.6618
Echinococcus granulosus dna polymerase eta 0.0023 0.0146 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.339 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0058 0.0047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0058 0.0047
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0085 0.0038
Brugia malayi Zinc finger, C2H2 type family protein 0.0373 0.5136 0.5136
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0314 0.2463
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.339 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1232 0.1302
Loa Loa (eye worm) hypothetical protein 0.006 0.0671 0.0671
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0601 0.0591
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.9371 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.0076
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0691 0.0688
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0205 0.273 0.2902
Loa Loa (eye worm) zinc finger protein 0.0373 0.5136 0.5136
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0085 0.0085
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0314 0.0284
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1868 0.1868
Loa Loa (eye worm) pax transcription factor protein 2 0.0234 0.3147 0.3147
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.1232 0.1302
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0148 0.0106
Echinococcus granulosus tar DNA binding protein 0.0062 0.0691 0.0688
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0715 1 1
Echinococcus granulosus vesicular acetylcholine transporter 0.043 0.5939 0.6318
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0146 0.043
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0043 0.0043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0601 0.0591
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.216 0.6372
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0314 1
Schistosoma mansoni zinc finger protein 0.0015 0.0025 0.0012
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0663 0.0658
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0146 0.0146
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0146 1
Toxoplasma gondii melibiase subfamily protein 0.01 0.1232 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0211 0.0211
Trypanosoma brucei unspecified product 0.0016 0.0043 0.0043
Onchocerca volvulus 0.0081 0.0965 0.1625
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0099 0.0099
Onchocerca volvulus 0.0028 0.0211 0.0356
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0314 0.0314
Echinococcus granulosus neuropeptide s receptor 0.0449 0.6218 0.6618
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.043 0.5939 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0137 0.1011
Schistosoma mansoni cpg binding protein 0.0031 0.026 0.0263
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.339 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0601 0.0627
Echinococcus multilocularis zinc finger protein 0.0021 0.0107 0.0062
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0314 0.0927
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0085 0.0085
Brugia malayi isocitrate dehydrogenase 0.0019 0.0085 0.0085
Schistosoma mansoni hypothetical protein 0.0397 0.5478 0.584
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0671 0.0671
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.0759 0.0796
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0163 1
Brugia malayi Pax transcription factor protein 2 0.0234 0.3147 0.3147
Schistosoma mansoni cpg binding protein 0.0028 0.0211 0.0211
Leishmania major DNA polymerase eta, putative 0.0023 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0691 0.0723
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0965 0.0982
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.0076
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0085 0.0085
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.207 0.2167
Brugia malayi CXXC zinc finger family protein 0.0028 0.0211 0.0211
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0085 0.0085
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.339 0.339
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.207 0.207
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0314 0.0927
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0146 0.0146
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0163 0.0163
Echinococcus multilocularis neuropeptide s receptor 0.0449 0.6218 0.6618
Trypanosoma cruzi ISWI complex protein 0.0015 0.0025 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0601 0.0627
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0137 0.0137
Echinococcus multilocularis GPCR, family 2 0.0019 0.0085 0.0038
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0146 0.0146
Schistosoma mansoni alpha glucosidase 0.0035 0.0314 0.0321
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0671 0.0671
Schistosoma mansoni hypothetical protein 0.0041 0.04 0.0412
Echinococcus granulosus GPCR family 2 0.0019 0.0085 0.0038
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0085 0.0085
Trypanosoma brucei glucosidase, putative 0.0035 0.0314 0.0314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0601 0.0591
Loa Loa (eye worm) hypothetical protein 0.0024 0.0163 0.0163
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0314 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0691 0.0691
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.04 0.04
Trypanosoma brucei unspecified product 0.0016 0.0043 0.0043

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 16.3 uM PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 24.4 uM PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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