Detailed information for compound 1415069

Basic information

Technical information
  • TDR Targets ID: 1415069
  • Name: (E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoy l)phenyl]prop-2-enamide
  • MW: 364.846 | Formula: C17H17ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N(C)C)/C=C/c1ccccc1Cl
  • InChi: 1S/C17H17ClN2O3S/c1-20(2)24(22,23)15-10-8-14(9-11-15)19-17(21)12-7-13-5-3-4-6-16(13)18/h3-12H,1-2H3,(H,19,21)/b12-7+
  • InChiKey: GURBBFVQHCWHMJ-KPKJPENVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
  • (E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acrylamide
  • 3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]acrylamide
  • T5734230
  • ZINC03555687
  • MLS000394148
  • SMR000247751

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae Rce1p Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
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 mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum expressed protein Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
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 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0286 0.0267
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0063 0.006
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0704 0.5078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0286 0.1369
Onchocerca volvulus 0.0033 0.0455 0.9087
Brugia malayi nuclear receptor RXR 0.0012 0.0019 0.0092
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.114 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.0048 0.0029
Loa Loa (eye worm) hypothetical protein 0.0013 0.0048 0.0217
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0286 0.0283
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0286 0.1381
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0286 0.1381
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0455 0.2185
Schistosoma mansoni lamin 0.0033 0.0455 0.0436
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0455 0.2185
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0286 0.1369
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0286 0.1381
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0286 0.0267
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0106 0.0103
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0012 0.0019 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0704 0.1766
Brugia malayi nuclear receptor RXR 0.0013 0.0048 0.023
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0175 0.0832
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1026 0.4958
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0286 0.1381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0286 0.1369
Brugia malayi Nuclear hormone receptor E75 0.0012 0.0019 0.0092
Brugia malayi nuclear receptor NHR-88 0.0024 0.0286 0.1381
Echinococcus granulosus CAAX prenyl protease 2 0.0111 0.207 0.2068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0019 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0286 0.1381
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi Nuclear hormone receptor E75 0.0012 0.0019 0.0092
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0286 0.0267
Loa Loa (eye worm) inositol-1 0.0045 0.0704 0.339
Entamoeba histolytica CAAX prenyl protease family 0.0111 0.207 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0286 0.0267
Schistosoma mansoni coup transcription factor 0.0024 0.0286 0.0267
Loa Loa (eye worm) hypothetical protein 0.0013 0.0048 0.0217
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0012 0.0019 0.0079
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0632 0.3054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0286 0.1369
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Brugia malayi ecdysteroid receptor 0.0024 0.0286 0.1381
Loa Loa (eye worm) hypothetical protein 0.0013 0.0048 0.0217
Echinococcus multilocularis CAAX prenyl protease 2 0.0111 0.207 0.2068
Chlamydia trachomatis hypothetical protein 0.0023 0.0253 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0539 0.0521
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Echinococcus granulosus thyroid hormone receptor alpha 0.0012 0.0019 0.0016
Echinococcus multilocularis cpg binding protein 0.0037 0.0539 0.0537
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0286 0.0283
Brugia malayi conserved hypotetical protein 0.0012 0.0019 0.0092
Schistosoma mansoni hypothetical protein 0.0205 0.4014 0.4003
Brugia malayi nuclear hormone receptor family member nhr-6 0.0012 0.0019 0.0092
Echinococcus granulosus lamin 0.0033 0.0455 0.0452
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Brugia malayi nuclear receptor NHR-67 0.0012 0.0019 0.0092
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0111 0.207 1
Loa Loa (eye worm) DR-78 0.0012 0.0019 0.0079
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0175 0.0172
Brugia malayi CAAX amino terminal protease family protein 0.0111 0.207 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.2926 0.2924
Loa Loa (eye worm) hypothetical protein 0.006 0.1026 0.4951
Brugia malayi nuclear receptor NHR-88 0.0012 0.0019 0.0092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0442 0.2126
Schistosoma mansoni hypothetical protein 0.0019 0.0175 0.0156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0286 0.1369
Echinococcus granulosus nuclear receptor nhr 48 0.0012 0.0019 0.0016
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0048 0.023
Loa Loa (eye worm) hypothetical protein 0.0013 0.0048 0.0217
Echinococcus multilocularis GPCR, family 2 0.0019 0.0175 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0286 0.1381
Brugia malayi Inositol-1 0.0045 0.0704 0.3399
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0286 0.0283
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0286 0.0283
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0142 0.0685
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0286 0.0283
Onchocerca volvulus 0.0033 0.0455 0.9087
Loa Loa (eye worm) hypothetical protein 0.003 0.0411 0.1972
Schistosoma mansoni intermediate filament proteins 0.0033 0.0455 0.0436
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0286 0.1381
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0286 0.1381
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0286 0.0267
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0286 0.1381
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0286 0.0267
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1026 0.4951
Loa Loa (eye worm) nuclear hormone receptor 0.0012 0.0019 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0704 1
Schistosoma mansoni hypothetical protein 0.0152 0.2926 0.2913
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.0019 0.0016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0286 0.0267
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0704 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0175 0.0156
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0704 0.0701
Schistosoma mansoni hypothetical protein 0.0205 0.4014 0.4003
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0111 0.207 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0012 0.0019 0.0016
Brugia malayi hypothetical protein 0.003 0.0411 0.1983
Onchocerca volvulus 0.0035 0.0498 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0286 0.1369
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0286 0.5566
Loa Loa (eye worm) hypothetical protein 0.0015 0.0094 0.0439
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0286 0.0267
Echinococcus multilocularis geminin 0.0205 0.4014 0.4013
Echinococcus granulosus intermediate filament protein 0.0033 0.0455 0.0452
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0499
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0175 0.0845
Echinococcus multilocularis lamin dm0 0.0033 0.0455 0.0452
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0063 0.006
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0704 0.1766
Brugia malayi hypothetical protein 0.0013 0.0048 0.023
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0013 0.0048 0.0045
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0142 0.0672
Giardia lamblia Hypothetical protein 0.0111 0.207 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0175 0.0172
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0013 0.0048 0.0045
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0286 0.0283
Brugia malayi hypothetical protein 0.0012 0.0019 0.0092
Echinococcus granulosus geminin 0.0205 0.4014 0.4013
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0704 0.1766
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.0019 0.0016
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.2926 0.2924
Echinococcus multilocularis musashi 0.0033 0.0455 0.0452
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0704 0.2479
Brugia malayi nuclear hormone receptor 0.0012 0.0019 0.0092
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0411 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0286 0.0283
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0286 0.0283
Brugia malayi intermediate filament protein 0.0033 0.0455 0.2196
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0704 0.0701
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0286 0.0283
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0013 0.0048 0.0029
Loa Loa (eye worm) hypothetical protein 0.0013 0.0048 0.0217
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0286 0.1381
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1026 0.4958
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0286 0.1381
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0175 0.0172
Brugia malayi hypothetical protein 0.002 0.0187 0.0905
Echinococcus multilocularis thyroid hormone receptor alpha 0.0176 0.3431 0.3429
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0286 0.1381
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0607 0.5
Brugia malayi ecdysone receptor 0.0012 0.0019 0.0092
Schistosoma mansoni hypothetical protein 0.0019 0.0175 0.0156
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0286 0.0283
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0106 0.0103
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0286 0.0283
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0455 0.2196
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.0019 0.0016
Brugia malayi nuclear hormone receptor 0.0024 0.0286 0.1381
Schistosoma mansoni hypothetical protein 0.0014 0.0063 0.0044
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0411 0.1774
Brugia malayi steroid hormone receptor 0.0024 0.0286 0.1381
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0286 0.1381
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0286 0.0283
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0286 0.1369
Treponema pallidum hypothetical protein 0.0023 0.0253 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0094 0.0439
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0498 0.2397
Echinococcus granulosus cpg binding protein 0.0037 0.0539 0.0537
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.0019 0.0016
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0411 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0286 0.1381
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0704 0.1766
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0286 0.0267
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0012 0.0019 0.0016
Schistosoma mansoni inositol monophosphatase 0.0045 0.0704 0.0686
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0286 0.5566
Brugia malayi hypothetical protein 0.0012 0.0019 0.0092
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.0498 0.048
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0175 0.0845
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0286 0.0283
Brugia malayi tailless protein 0.0012 0.0019 0.0092
Onchocerca volvulus 0.0024 0.0286 0.5566
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0607 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0498 0.2407
Schistosoma mansoni thyroid hormone receptor 0.0176 0.3431 0.3419
Loa Loa (eye worm) hypothetical protein 0.0111 0.207 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0175 0.0172
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Trypanosoma brucei CAAX amino terminal protease, putative 0.0111 0.207 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0411 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0286 0.5566
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0286 0.0283
Echinococcus multilocularis nuclear receptor nhr 48 0.0012 0.0019 0.0016
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0013 0.0048 0.0217
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0286 0.0283
Loa Loa (eye worm) hypothetical protein 0.0033 0.0455 0.2185
Schistosoma mansoni hypothetical protein 0.0041 0.0632 0.0614
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0286 0.0283
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.207 0.2055
Loa Loa (eye worm) hypothetical protein 0.0024 0.0286 0.1369
Brugia malayi hypothetical protein 0.0013 0.0048 0.023
Schistosoma mansoni cpg binding protein 0.0037 0.0539 0.0521
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0019 0.0016
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0012 0.0019 0.0092
Schistosoma mansoni hypothetical protein 0.0019 0.0175 0.0156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Loa Loa (eye worm) hypothetical protein 0.0041 0.0632 0.3045
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0286 0.1381
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.0079
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0175 0.0172
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0111 0.207 1
Brugia malayi orphan nuclear receptor NR2E1 0.0012 0.0019 0.0092
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1303 0.1286
Loa Loa (eye worm) nuclear receptor NHR-67 0.0012 0.0019 0.0079
Echinococcus granulosus lamin dm0 0.0033 0.0455 0.0452
Schistosoma mansoni lamin 0.0033 0.0455 0.0436
Schistosoma mansoni inositol monophosphatase 0.0045 0.0704 0.0686
Schistosoma mansoni thyroid hormone receptor 0.0176 0.3431 0.3419
Echinococcus multilocularis lamin 0.0033 0.0455 0.0452
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0048 0.023
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0286 0.1369
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0286 0.0267
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0286 0.0283
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.207 0.2055
Loa Loa (eye worm) hypothetical protein 0.0019 0.0175 0.0832
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0286 0.1381
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0111 0.207 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0012 0.0019 0.0092

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 4.183 uM PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
Potency (functional) = 0.1118 um PUBCHEM_BIOASSAY: Concentration response confirmation assay for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) [Related pubchem assays: 2551 (Primary screen tested at 6 concentrations from 46 uM to 3 nM)] ChEMBL. No reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 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) = 4.4668 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) 18.526 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) 20.5962 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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