Detailed information for compound 1416220

Basic information

Technical information
  • TDR Targets ID: 1416220
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-p yrrolidin-1-ylsulfonylpyrrole-2-carboxamide
  • MW: 421.51 | Formula: C20H27N3O5S
  • H donors: 1 H acceptors: 3 LogP: 1.81 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)c2cc(cn2C)S(=O)(=O)N2CCCC2)ccc1OC
  • InChi: 1S/C20H27N3O5S/c1-22-14-16(29(25,26)23-10-4-5-11-23)13-17(22)20(24)21-9-8-15-6-7-18(27-2)19(12-15)28-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,21,24)
  • InChiKey: SIRHZSBAGUXUNU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-1-pyrrolidinylsulfonyl-2-pyrrolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I 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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0278 0.037
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8181 0.9859
Trypanosoma brucei unspecified product 0.0025 0.0278 0.037
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8181 0.9859
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0059 0.0059
Mycobacterium ulcerans beta-lactamase 0.0075 0.1123 0.5652
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0961 0.2465
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0047 0.0641 0.0783
Onchocerca volvulus Putative endochitinase 0.0146 0.2316 0.3588
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0032 0.0032
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.1123 0.1354
Schistosoma mansoni hypothetical protein 0.0232 0.3763 0.46
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Echinococcus multilocularis tar DNA binding protein 0.0058 0.0827 0.0997
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Schistosoma mansoni hypothetical protein 0.0101 0.1555 0.1901
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.1123 0.0873
Onchocerca volvulus 0.0075 0.1123 0.1692
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0385 0.635 0.635
Brugia malayi nuclear receptor NHR-88 0.0012 0.0059 0.0059
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0075 0.1123 0.1123
Trypanosoma cruzi polo-like protein kinase, putative 0.0385 0.635 1
Loa Loa (eye worm) chitin binding Peritrophin-A domain-containing protein 0.0018 0.015 0.015
Loa Loa (eye worm) microfilarial chitinase 0.0142 0.225 0.225
Brugia malayi ecdysteroid receptor 0.0012 0.0059 0.0059
Plasmodium vivax hypothetical protein, conserved 0.0232 0.3763 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0059 0.0072
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0047 0.0641 0.0641
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0469 0.0673
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0018 0.015 0.015
Entamoeba histolytica serine/threonine protein kinase, putative 0.0385 0.635 1
Schistosoma mansoni hypothetical protein 0.0047 0.0641 0.0783
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0037 0.0469 0.0673
Onchocerca volvulus 0.0018 0.015 0.0145
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0095 0.146 0.146
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0641 0.0772
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0827 0.1011
Mycobacterium tuberculosis Possible chitinase 0.0125 0.1953 0.198
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0385 0.635 0.7652
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0059 0.0059
Brugia malayi nuclear hormone receptor 0.0012 0.0059 0.0059
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.146 0.1785
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Schistosoma mansoni hypothetical protein 0.0347 0.5709 0.6979
Echinococcus granulosus GPCR family 2 0.0047 0.0641 0.0772
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0059 0.0071
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.2343 0.2343
Leishmania major chitinase 0.0146 0.2316 0.3603
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Onchocerca volvulus Putative endochitinase 0.0164 0.2613 0.406
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Loa Loa (eye worm) RNA binding protein 0.0058 0.0827 0.0827
Echinococcus multilocularis geminin 0.0347 0.5709 0.688
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.0557 0.0557
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0827 0.1011
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1123 0.1479
Loa Loa (eye worm) TAR-binding protein 0.0058 0.0827 0.0827
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0059 0.0071
Plasmodium vivax chitinase 0.0022 0.0216 0.0462
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.0469 0.0469
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0034 0.0041
Loa Loa (eye worm) hypothetical protein 0.0101 0.1555 0.1555
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0059 0.0071
Toxoplasma gondii hypothetical protein 0.0232 0.3763 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1123 0.1479
Echinococcus multilocularis dual specificity 0.0095 0.146 0.176
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0216 0.0216
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1123 0.1711
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.146 0.2246
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.1123 0.5652
Onchocerca volvulus Serine\/threonine kinase homolog 0.0385 0.635 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0232 0.3763 0.3763
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Brugia malayi endochitinase 0.0146 0.2316 0.2316
Brugia malayi beta-lactamase family protein 0.0075 0.1123 0.1123
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0059 0.0071
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0095 0.146 0.2246
Echinococcus granulosus dual specificity 0.0095 0.146 0.176
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1123 0.1479
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Onchocerca volvulus Putative endochitinase 0.0146 0.2316 0.3588
Onchocerca volvulus 0.0018 0.015 0.0145
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0641 0.0641
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.1123 0.1123
Trypanosoma brucei DNA polymerase eta, putative 0.0037 0.0469 0.0673
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0059 0.0072
Loa Loa (eye worm) hypothetical protein 0.0094 0.1431 0.1431
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.3073 0.4658
Loa Loa (eye worm) hypothetical protein 0.0094 0.1431 0.1431
Mycobacterium ulcerans PE-PGRS family protein 0.0022 0.0216 0.0899
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Toxoplasma gondii ABC1 family protein 0.0075 0.1123 0.2901
Giardia lamblia DINP protein human, muc B family 0.0037 0.0469 0.0673
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0059 0.0059
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0059 0.0072
Brugia malayi Glycosyl hydrolases family 18 protein 0.0022 0.0216 0.0216
Brugia malayi hypothetical protein 0.0022 0.0216 0.0216
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0037 0.0469 0.0573
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0641 0.0641
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0059 0.0059
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.0469 0.2224
Onchocerca volvulus 0.0018 0.015 0.0145
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0095 0.146 0.2246
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0037 0.0469 0.0565
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.1123 0.0873
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0059 0.0071
Echinococcus multilocularis cpg binding protein 0.0037 0.0471 0.0568
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0557 0.0671
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Schistosoma mansoni terminal deoxycytidyl transferase 0.0037 0.0469 0.0573
Brugia malayi beta-lactamase family protein 0.0075 0.1123 0.1123
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0059 0.0071
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0059 0.0072
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.1123 0.1354
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0059 0.0072
Brugia malayi Protein kinase domain containing protein 0.0095 0.146 0.146
Schistosoma mansoni hypothetical protein 0.0494 0.8181 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0059 0.0071
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.1123 0.1711
Onchocerca volvulus 0.0018 0.015 0.0145
Trichomonas vaginalis DNA polymerase eta, putative 0.0037 0.0469 0.0412
Trypanosoma cruzi DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Brugia malayi Endochitinase 0.0022 0.0216 0.0216
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0557 0.0671
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0557 0.0671
Onchocerca volvulus 0.0232 0.3763 0.5888
Brugia malayi RNA recognition motif domain containing protein 0.0058 0.0827 0.0827
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0059 0.0072
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0018 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0059
Echinococcus granulosus dna polymerase kappa 0.0037 0.0469 0.0565
Loa Loa (eye worm) beta-lactamase 0.0075 0.1123 0.1123
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.2007 0.2007
Loa Loa (eye worm) chitinase I 0.0146 0.2316 0.2316
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0058 0.0827 0.0827
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0059 0.0071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0557 0.0671
Echinococcus granulosus geminin 0.0347 0.5709 0.688
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0641 0.0772
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0059 0.0059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0557 0.068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0557 0.068
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.1123 0.1123
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0034 0.0041
Schistosoma mansoni hypothetical protein 0.0047 0.0641 0.0783
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0059 0.0072
Leishmania major DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1123 0.1711
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0469 0.0673
Onchocerca volvulus Putative endochitinase 0.0164 0.2613 0.406
Entamoeba histolytica protein kinase, putative 0.0095 0.146 0.2028
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0037 0.0469 0.0469
Mycobacterium leprae conserved hypothetical protein 0.0075 0.1123 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Mycobacterium ulcerans hypothetical protein 0.0075 0.1123 0.5652
Brugia malayi endochitinase 0.0164 0.2613 0.2613
Schistosoma mansoni hypothetical protein 0.0047 0.0641 0.0783
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0602 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0037 0.0469 0.0412
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0059 0.0072
Schistosoma mansoni chitinase 0.0022 0.0216 0.0264
Brugia malayi RNA binding protein 0.0058 0.0827 0.0827
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0827 0.1011
Echinococcus multilocularis Glycoside hydrolase, chitinase domain containing protein 1 0.0022 0.0216 0.026
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Mycobacterium tuberculosis Conserved protein 0.0075 0.1123 0.0873
Brugia malayi beta-lactamase 0.0075 0.1123 0.1123
Schistosoma mansoni serine/threonine protein kinase 0.0385 0.635 0.7761
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.1123 0.0873
Brugia malayi steroid hormone receptor 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Mycobacterium tuberculosis Conserved protein 0.0075 0.1123 0.0873
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0059 0.0059
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0059 0.0071
Loa Loa (eye worm) hypothetical protein 0.0022 0.0216 0.0216
Echinococcus granulosus cpg binding protein 0.0037 0.0471 0.0568
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0059 0.0071
Onchocerca volvulus 0.0035 0.0438 0.0602
Leishmania major hypothetical protein, conserved 0.0075 0.1123 0.1711
Brugia malayi TAR-binding protein 0.0058 0.0827 0.0827
Schistosoma mansoni hypothetical protein 0.0347 0.5709 0.6979
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0059 0.0059
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0059 0.0059
Schistosoma mansoni coup transcription factor 0.0012 0.0059 0.0072
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0059 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Schistosoma mansoni kinase 0.0196 0.3159 0.3861
Brugia malayi CXXC zinc finger family protein 0.0035 0.0438 0.0438
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1123 0.1479
Brugia malayi hypothetical protein 0.0022 0.0216 0.0216
Onchocerca volvulus 0.0075 0.1123 0.1692
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Echinococcus multilocularis dna polymerase eta 0.0037 0.0469 0.0565
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.0557 0.0557
Echinococcus granulosus Glycoside hydrolase chitinase domain containing protein 1 0.0022 0.0216 0.026
Trypanosoma brucei unspecified product 0.0037 0.0469 0.0673
Mycobacterium ulcerans chitinase/cellulase 0.0125 0.1953 1
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Onchocerca volvulus 0.0018 0.015 0.0145
Leishmania major DNA polymerase eta, putative 0.0037 0.0469 0.0673
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0037 0.0469 0.0412
Loa Loa (eye worm) glycosyl hydrolase family 18 protein 0.0022 0.0216 0.0216
Loa Loa (eye worm) chitin binding Peritrophin-A domain-containing protein 0.0018 0.015 0.015
Schistosoma mansoni DNA polymerase IV / kappa 0.0011 0.0044 0.0054
Loa Loa (eye worm) hypothetical protein 0.0075 0.1123 0.1123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0059 0.0059
Echinococcus multilocularis GPCR, family 2 0.0047 0.0641 0.0772
Loa Loa (eye worm) hypothetical protein 0.0018 0.015 0.015
Entamoeba histolytica protein kinase, putative 0.0095 0.146 0.2028
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0827 0.1011
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.1555 0.1555
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0232 0.3763 0.3763
Schistosoma mansoni cpg binding protein 0.0037 0.0471 0.0576
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0095 0.146 0.2246
Loa Loa (eye worm) hypothetical protein 0.0075 0.1123 0.1123
Trypanosoma cruzi polo-like protein kinase, putative 0.0385 0.635 1
Trichomonas vaginalis CAMK family protein kinase 0.0385 0.635 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1123 0.1479
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.0469 0.0469
Loa Loa (eye worm) hypothetical protein 0.0075 0.1123 0.1123
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Brugia malayi polk-prov protein 0.0011 0.0044 0.0044
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.1123 0.0873
Brugia malayi serine/threonine-protein kinase plk-2 0.0385 0.635 0.635
Plasmodium falciparum conserved protein, unknown function 0.0232 0.3763 1
Echinococcus granulosus tar DNA binding protein 0.0058 0.0827 0.0997
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0059 0.0072
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0232 0.3763 0.4535
Brugia malayi Glycosyl hydrolases family 18 protein 0.0022 0.0216 0.0216
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0059 0.0059
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0059 0.0072
Mycobacterium ulcerans DNA polymerase IV 0.0037 0.0469 0.2224
Mycobacterium leprae Probable lipase LipE 0.0075 0.1123 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0469 0.0673
Entamoeba histolytica hypothetical protein 0.0095 0.146 0.2028
Echinococcus granulosus dna polymerase eta 0.0037 0.0469 0.0565
Loa Loa (eye worm) hypothetical protein 0.0037 0.0469 0.0469
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.2343 0.2343
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0501 0.8298 1
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0018 0.015 0.015
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0059 0.0071
Entamoeba histolytica protein kinase domain containing protein 0.0095 0.146 0.2028
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0059 0.0071
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0059 0.0059
Echinococcus multilocularis dna polymerase kappa 0.0037 0.0469 0.0565
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0059 0.0071
Trypanosoma brucei unspecified product 0.0025 0.0278 0.037
Schistosoma mansoni cpg binding protein 0.0037 0.0471 0.0576
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0385 0.635 1
Onchocerca volvulus Putative chitinase 0.0022 0.0216 0.025
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0481 0.7967 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0059 0.0059
Onchocerca volvulus Putative endochitinase 0.0022 0.0216 0.025
Loa Loa (eye worm) hypothetical protein 0.0075 0.1123 0.1123
Giardia lamblia Kinase, PLK 0.0385 0.635 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0059 0.0072
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0827 0.1011
Plasmodium vivax hypothetical protein, conserved 0.0075 0.1123 0.2901
Brugia malayi Chitin binding Peritrophin-A domain containing protein 0.0018 0.015 0.015
Onchocerca volvulus Putative endochitinase 0.0164 0.2613 0.406
Onchocerca volvulus 0.0075 0.1123 0.1692
Mycobacterium tuberculosis Conserved protein 0.0075 0.1123 0.0873
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0385 0.635 0.7652
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0059 0.0071
Schistosoma mansoni DNA polymerase eta 0.0037 0.0469 0.0573
Loa Loa (eye worm) cuticular endochitinase 0.0146 0.2316 0.2316
Entamoeba histolytica chitinase, putative 0.0146 0.2316 0.3424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0557 0.068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0059 0.0059
Brugia malayi MH2 domain containing protein 0.0128 0.2007 0.2007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1094 0.1337
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.1123 0.5652
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.1123 0.0873
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0278 0.037
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0469 0.0673
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0059 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0278 0.037
Trichomonas vaginalis esterase, putative 0.0075 0.1123 0.1479
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0075 0.1123 0.1123
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0059 0.0071
Onchocerca volvulus 0.0232 0.3763 0.5888
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0501 0.8298 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0469 0.0673
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0059 0.0071
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0059 0.0059
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.2007 0.2007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0059 0.0071
Brugia malayi Endochitinase 0.0164 0.2613 0.2613
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0232 0.3763 0.4535
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0059 0.0059
Plasmodium falciparum chitinase 0.0022 0.0216 0.0462
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0059 0.0059
Schistosoma mansoni cpg binding protein 0.0035 0.0438 0.0535
Loa Loa (eye worm) hypothetical protein 0.0125 0.1953 0.1953
Loa Loa (eye worm) hypothetical protein 0.0232 0.3763 0.3763
Trypanosoma brucei polo-like protein kinase 0.0385 0.635 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0059 0.0059
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0034 0.0034
Trichomonas vaginalis CAMK family protein kinase 0.0191 0.3073 0.4658
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0641 0.0641
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1123 0.1373
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1123 0.1373
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.1123 0.0873
Mycobacterium ulcerans lipase LipD 0.0075 0.1123 0.5652
Mycobacterium ulcerans chitinase/cellulase 0.0125 0.1953 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0044
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0037 0.0469 0.0565
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.1123 0.0873

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0329 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) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 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) = 3.9811 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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.
 
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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