Detailed information for compound 1297888

Basic information

Technical information
  • TDR Targets ID: 1297888
  • Name: 2-(3-bromo-1-adamantyl)-N-(2-methoxyphenyl)ac etamide
  • MW: 378.303 | Formula: C19H24BrNO2
  • H donors: 1 H acceptors: 1 LogP: 4.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)CC12CC3CC(C1)CC(C2)(C3)Br
  • InChi: 1S/C19H24BrNO2/c1-23-16-5-3-2-4-15(16)21-17(22)11-18-7-13-6-14(8-18)10-19(20,9-13)12-18/h2-5,13-14H,6-12H2,1H3,(H,21,22)
  • InChiKey: PFMKOYOWCGERCV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-bromo-1-adamantyl)-N-(2-methoxyphenyl)ethanamide
  • T0505-3224

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 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
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 mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.0207 0.0453
Echinococcus granulosus TGF beta signal transducer SmadC 0.022 0.0641 0.2479
Echinococcus multilocularis segment polarity protein dishevelled 0.0026 0.0039 0.0136
Loa Loa (eye worm) hypothetical protein 0.0029 0.0048 0.0048
Brugia malayi follicle stimulating hormone receptor 0.0255 0.075 0.0744
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0041 0.0084 1
Schistosoma mansoni survival motor neuron protein 0.0053 0.0122 0.0259
Schistosoma mansoni lamin 0.003 0.0049 0.0093
Giardia lamblia Replication factor C, subunit 1 0.0041 0.0084 0.5
Loa Loa (eye worm) RasGEF domain-containing protein 0.0019 0.0015 0.0015
Toxoplasma gondii isocitrate dehydrogenase 0.0136 0.038 0.3226
Schistosoma mansoni tar DNA-binding protein 0.0843 0.2582 0.5861
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0015
Echinococcus granulosus replication factor c subunit 1 0.0041 0.0084 0.032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0101 0.0101
Trypanosoma brucei PAB1-binding protein , putative 0.0366 0.1096 1
Schistosoma mansoni cpg binding protein 0.0035 0.0065 0.0129
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0017 0.0008 0.0002
Echinococcus multilocularis GPCR, family 2 0.0661 0.2013 0.736
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0041 0.0084 0.3806
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 0.038 0.1384
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0534 0.162 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0084 1
Onchocerca volvulus 0.0053 0.0122 0.0666
Schistosoma mansoni hypothetical protein 0.0164 0.0468 0.1047
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0041 0.0084 1
Onchocerca volvulus 0.0035 0.0065 0.0309
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0019 0.0015 0.005
Echinococcus multilocularis son of sevenless 1 0.0019 0.0015 0.005
Schistosoma mansoni hypothetical protein 0.0661 0.2013 0.4566
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0017 0.0008 0.0025
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0843 0.2582 0.2582
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0923
Echinococcus multilocularis musashi 0.003 0.0049 0.0175
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.0207 0.0797
Brugia malayi mothers against decapentaplegic homolog 3 0.0098 0.0263 0.0257
Echinococcus multilocularis ras GTP exchange factor 0.0019 0.0015 0.005
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0084
Echinococcus multilocularis nibrin 0.0041 0.0084 0.0302
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0026 0.0039 0.0032
Loa Loa (eye worm) transcription factor SMAD2 0.3227 1 1
Schistosoma mansoni hypothetical protein 0.0106 0.0289 0.0638
Echinococcus granulosus lamin dm0 0.003 0.0049 0.0185
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Echinococcus granulosus regulator of G protein signaling 7 0.0026 0.0039 0.0144
Entamoeba histolytica hypothetical protein 0.0019 0.0015 0.0249
Brugia malayi hypothetical protein 0.0366 0.1096 0.109
Echinococcus multilocularis mothers against decapentaplegic 6 0.0098 0.0263 0.0956
Brugia malayi Probable isocitrate dehydrogenase 0.0017 0.0008 0.0002
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0661 0.2013 0.4566
Trichomonas vaginalis ras GTP exchange factor, putative 0.0019 0.0015 0.0923
Loa Loa (eye worm) hypothetical protein 0.026 0.0767 0.0767
Schistosoma mansoni smad 0.0098 0.0263 0.058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0101 0.0384
Echinococcus multilocularis mothers against decapentaplegic 5 0.022 0.0641 0.2341
Echinococcus granulosus Protein son of sevenless 0.0019 0.0015 0.0053
Schistosoma mansoni ras GTP exchange factor 0.0019 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.003 0.0049 0.0049
Entamoeba histolytica hypothetical protein 0.0041 0.0084 0.2703
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Schistosoma mansoni lamin 0.003 0.0049 0.0093
Echinococcus granulosus Pleckstrin G protein interacting region 0.0026 0.0039 0.0144
Echinococcus granulosus lamin 0.003 0.0049 0.0185
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0019 0.0015 0.0053
Schistosoma mansoni cpg binding protein 0.0037 0.0071 0.0143
Entamoeba histolytica hypothetical protein 0.0106 0.0289 1
Brugia malayi MH1 domain containing protein 0.0122 0.0336 0.0329
Brugia malayi RNA binding protein 0.0843 0.2582 0.2577
Plasmodium falciparum ataxin-2 like protein, putative 0.0366 0.1096 1
Schistosoma mansoni smad1 5 8 and 0.022 0.0641 0.1441
Toxoplasma gondii LsmAD domain-containing protein 0.0366 0.1096 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0661 0.2013 0.7796
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 0.038 0.3373
Loa Loa (eye worm) Smad1 0.022 0.0641 0.0641
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Echinococcus granulosus regulator of G protein signaling 7 0.0026 0.0039 0.0144
Loa Loa (eye worm) RasGEF domain-containing protein 0.0019 0.0015 0.0015
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0026 0.0039 0.0136
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Schistosoma mansoni topbp1 0.0041 0.0084 0.0172
Brugia malayi MH2 domain containing protein 0.022 0.0641 0.0635
Schistosoma mansoni tar DNA-binding protein 0.0843 0.2582 0.5861
Brugia malayi topoisomerase 0.0041 0.0084 0.0078
Schistosoma mansoni Smad4 0.0098 0.0263 0.058
Echinococcus multilocularis smad 0.022 0.0641 0.2341
Echinococcus multilocularis regulator of G protein signaling 7 0.0026 0.0039 0.0136
Schistosoma mansoni smad1 5 8 and 0.022 0.0641 0.1441
Loa Loa (eye worm) isocitrate dehydrogenase 0.0136 0.038 0.038
Brugia malayi latrophilin 2 splice variant baaae 0.1427 0.4399 0.4395
Echinococcus multilocularis lamin 0.003 0.0049 0.0175
Loa Loa (eye worm) latrophilin receptor protein 2 0.0661 0.2013 0.2013
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0019 0.0015 0.0016
Brugia malayi hypothetical protein 0.0041 0.0084 0.0078
Echinococcus granulosus Smad4 0.022 0.0641 0.2479
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 0.038 0.2923
Brugia malayi RasGEF domain containing protein 0.0019 0.0015 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0101 0.0362
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0017 0.0008 0.0002
Echinococcus multilocularis Smad4 0.022 0.0641 0.2341
Leishmania major hypothetical protein, conserved 0.0366 0.1096 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0084 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0026 0.0039 0.0136
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0019 0.0015 0.0053
Toxoplasma gondii hypothetical protein 0.0028 0.0043 0.0041
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0049 0.0043
Echinococcus multilocularis tar DNA binding protein 0.0843 0.2582 0.9441
Echinococcus granulosus GPCR family 2 0.0661 0.2013 0.7796
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0136 0.038 0.1384
Loa Loa (eye worm) MH1 domain-containing protein 0.0098 0.0263 0.0263
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Loa Loa (eye worm) hypothetical protein 0.0534 0.162 0.162
Brugia malayi hypothetical protein 0.0041 0.0084 0.0078
Loa Loa (eye worm) hypothetical protein 0.0019 0.0015 0.0015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0661 0.2013 0.736
Entamoeba histolytica hypothetical protein 0.0106 0.0289 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0026 0.0039 0.0136
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0084 0.0636
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 1
Echinococcus granulosus segment polarity protein dishevelled 0.0026 0.0039 0.0144
Loa Loa (eye worm) hypothetical protein 0.2088 0.6455 0.6455
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0162 0.116
Brugia malayi hypothetical protein 0.0026 0.0039 0.0032
Schistosoma mansoni dep domain containing protein 0.0026 0.0039 0.0069
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Loa Loa (eye worm) intermediate filament protein 0.003 0.0049 0.0049
Trichomonas vaginalis ras GTP exchange factor, putative 0.0019 0.0015 0.0923
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0041 0.0084 0.2703
Schistosoma mansoni regulator of G protein signaling 0.0026 0.0039 0.0069
Schistosoma mansoni dishevelled 0.0026 0.0039 0.0069
Loa Loa (eye worm) hypothetical protein 0.0135 0.0377 0.0377
Trypanosoma cruzi PAB1-binding protein , putative 0.0366 0.1096 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0207 0.0207
Brugia malayi RNA recognition motif domain containing protein 0.0843 0.2582 0.2577
Brugia malayi N-terminal motif family protein 0.0019 0.0015 0.0009
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0136 0.038 0.3198
Brugia malayi Latrophilin receptor protein 2 0.0661 0.2013 0.2008
Schistosoma mansoni Smad4 0.022 0.0641 0.1441
Brugia malayi Probable ClpP-like protease 0.008 0.0207 0.0201
Echinococcus granulosus mothers against decapentaplegic 5 0.022 0.0641 0.2479
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.0039
Schistosoma mansoni cpg binding protein 0.0037 0.0071 0.0143
Loa Loa (eye worm) MH2 domain-containing protein 0.0098 0.0263 0.0263
Schistosoma mansoni chromosome transmission fidelity factor 0.0041 0.0084 0.0172
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 0.038 0.1384
Brugia malayi hypothetical protein 0.0236 0.0692 0.0686
Schistosoma mansoni dishevelled 0.0026 0.0039 0.0069
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0136 0.038 0.0846
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0084
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0026 0.0039 0.0146
Echinococcus granulosus cpg binding protein 0.0037 0.0071 0.0269
Brugia malayi hypothetical protein 0.026 0.0767 0.0761
Brugia malayi Isocitrate dehydrogenase 0.0136 0.038 0.0374
Schistosoma mansoni hypothetical protein 0.0053 0.0122 0.0259
Echinococcus multilocularis Protein son of sevenless 0.0019 0.0015 0.005
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Brugia malayi N-terminal motif family protein 0.0019 0.0015 0.0009
Brugia malayi hypothetical protein 0.0464 0.14 0.1394
Onchocerca volvulus 0.003 0.0049 0.0212
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0041 0.0084 1
Schistosoma mansoni hypothetical protein 0.1427 0.4399 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0017 0.0008 0.0002
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 1
Brugia malayi MH1 domain containing protein 0.022 0.0641 0.0635
Schistosoma mansoni TGF-beta signal transducer Smad2 0.022 0.0641 0.1441
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0661 0.2013 0.2008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0101 0.021
Schistosoma mansoni tar DNA-binding protein 0.0843 0.2582 0.5861
Brugia malayi RasGEF domain containing protein 0.0019 0.0015 0.0009
Schistosoma mansoni smad1 5 8 and 0.022 0.0641 0.1441
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0084 1
Loa Loa (eye worm) TAR-binding protein 0.0843 0.2582 0.2582
Schistosoma mansoni z-protein (S1r protein) 0.0026 0.0039 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0101 0.0362
Loa Loa (eye worm) MH2 domain-containing protein 0.3227 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0136 0.038 0.1384
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 0.038 0.3416
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0136 0.038 0.3373
Echinococcus multilocularis cpg binding protein 0.0037 0.0071 0.0254
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 1
Plasmodium vivax replication factor C subunit 1, putative 0.0041 0.0084 0.0388
Plasmodium falciparum replication factor C subunit 1, putative 0.0041 0.0084 0.0388
Loa Loa (eye worm) hypothetical protein 0.0098 0.0263 0.0263
Echinococcus granulosus nibrin 0.0041 0.0084 0.032
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0041 0.0084 0.3806
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0041 0.0084 0.3806
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0207 0.1593
Echinococcus granulosus microtubule associated protein 2 0.076 0.2321 0.8988
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0843 0.2582 0.5861
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 0.075 0.075
Brugia malayi MH2 domain containing protein 0.0098 0.0263 0.0257
Loa Loa (eye worm) RNA binding protein 0.0843 0.2582 0.2582
Loa Loa (eye worm) hypothetical protein 0.1427 0.4399 0.4399
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0008
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0026 0.0039 0.0032
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0164 0.0468 0.1706
Toxoplasma gondii isocitrate dehydrogenase 0.0136 0.038 0.3226
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0007 0.0007
Echinococcus granulosus survival motor neuron protein 1 0.026 0.0767 0.2966
Echinococcus granulosus ras GTP exchange factor 0.0019 0.0015 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0101 0.021
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0136 0.038 0.1466
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0136 0.038 0.3198
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0084
Entamoeba histolytica hypothetical protein 0.0106 0.0289 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2088 0.6455 0.6453
Echinococcus granulosus mothers against decapentaplegic 2 0.0098 0.0263 0.1013
Echinococcus multilocularis lamin dm0 0.003 0.0049 0.0175
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0207 0.1593
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0019 0.0015 0.0016
Brugia malayi DKFZp564C0469 protein 0.0041 0.0084 0.0078
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.0039
Toxoplasma gondii ATPase, AAA family protein 0.0041 0.0084 0.0428
Echinococcus granulosus son of sevenless 1 0.0019 0.0015 0.0053
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0028 0.0043 0.1753
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0186 0.0404
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 0.038 0.1384
Loa Loa (eye worm) hypothetical protein 0.0661 0.2013 0.2013
Loa Loa (eye worm) hypothetical protein 0.0122 0.0336 0.0336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0101 0.021
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0041 0.0084 0.0078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2088 0.6455 0.6455
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0101 0.0094
Onchocerca volvulus 0.0464 0.14 0.8626
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0026 0.0039 0.0039
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0017 0.0008 0.0026
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0017 0.0008 0.0008
Onchocerca volvulus 0.003 0.0049 0.0212
Brugia malayi MH2 domain containing protein 0.022 0.0641 0.0635
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0049 0.0049
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0041 0.0084 1
Schistosoma mansoni transcription factor LCR-F1 0.0106 0.0289 0.0638
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0121 0.0437
Onchocerca volvulus Huntingtin homolog 0.0135 0.0377 0.2251
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0084
Loa Loa (eye worm) MH2 domain-containing protein 0.022 0.0641 0.0641
Echinococcus multilocularis replication factor c subunit 1 0.0041 0.0084 0.0302
Brugia malayi TAR-binding protein 0.0843 0.2582 0.2577
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0019 0.0015 0.005
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0893 0.2735 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0084 0.0636
Brugia malayi DIX domain containing protein 0.0026 0.0039 0.0032
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0041 0.0084 0.0428
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0017 0.0008 0.0026
Echinococcus granulosus intermediate filament protein 0.003 0.0049 0.0185
Echinococcus multilocularis survival motor neuron protein 1 0.026 0.0767 0.2801
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0121 0.0463
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.0207 1
Brugia malayi RasGEF domain containing protein 0.0019 0.0015 0.0009
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0019 0.0015 0.0016
Loa Loa (eye worm) nuclear factor I 0.0122 0.0336 0.0336
Onchocerca volvulus Huntingtin homolog 0.0135 0.0377 0.2251
Plasmodium vivax ataxin-2 like protein, putative 0.0366 0.1096 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0661 0.2013 0.7796
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0098 0.0263 0.1542
Schistosoma mansoni smad 0.022 0.0641 0.1441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0101 0.0384
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0106 0.0289 0.1112
Schistosoma mansoni hypothetical protein 0.0661 0.2013 0.4566
Brugia malayi regulator of G-protein signaling egl-10 0.0026 0.0039 0.0032
Echinococcus granulosus segment polarity protein dishevelled 0.0026 0.0039 0.0144
Schistosoma mansoni microtubule-associated protein tau 0.076 0.2321 0.5266
Schistosoma mansoni Smad4 0.0098 0.0263 0.058
Brugia malayi MH1 domain containing protein 0.022 0.0641 0.0635
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0136 0.038 1
Schistosoma mansoni tar DNA-binding protein 0.0843 0.2582 0.5861
Brugia malayi MH1 domain containing protein 0.0122 0.0336 0.0329
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0121 0.5665
Onchocerca volvulus 0.0026 0.0039 0.0146
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 0.1558
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0084 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0098 0.0263 0.0956
Brugia malayi Probable isocitrate dehydrogenase 0.0017 0.0008 0.0002
Loa Loa (eye worm) hypothetical protein 0.0135 0.0377 0.0377
Brugia malayi hypothetical protein 0.0135 0.0377 0.037
Brugia malayi isocitrate dehydrogenase 0.0136 0.038 0.0374
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0041 0.0084 0.0636
Schistosoma mansoni topbp1 0.0041 0.0084 0.0172
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0084 1
Schistosoma mansoni intermediate filament proteins 0.003 0.0049 0.0093
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0122 0.0116
Loa Loa (eye worm) hypothetical protein 0.0464 0.14 0.14
Treponema pallidum DNA ligase (lig) 0.0041 0.0084 0.2489
Onchocerca volvulus 0.0041 0.0084 0.0428
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0164 0.0468 0.1807
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0084
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Loa Loa (eye worm) DIX domain-containing protein 0.0026 0.0039 0.0039
Brugia malayi intermediate filament protein 0.003 0.0049 0.0043
Brugia malayi hypothetical protein 0.0026 0.0039 0.0032
Brugia malayi hypothetical protein 0.0106 0.0289 0.0282
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0136 0.038 0.2923
Entamoeba histolytica hypothetical protein 0.0106 0.0289 1
Brugia malayi Smad1 0.022 0.0641 0.0635
Brugia malayi N-terminal motif family protein 0.0534 0.162 0.1615
Plasmodium falciparum ataxin-2 like protein, putative 0.0366 0.1096 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0018 0.0013 0.0009
Loa Loa (eye worm) RasGEF domain-containing protein 0.0019 0.0015 0.0015
Trypanosoma cruzi PAB1-binding protein , putative 0.0366 0.1096 1
Echinococcus multilocularis microtubule associated protein 2 0.076 0.2321 0.8486
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.0207 0.0753
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0017 0.0008 0.0025
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0019 0.0015 0.0016
Loa Loa (eye worm) MH1 domain-containing protein 0.022 0.0641 0.0641
Echinococcus granulosus mothers against decapentaplegic 6 0.0098 0.0263 0.1013
Schistosoma mansoni hypothetical protein 0.0661 0.2013 0.4566
Schistosoma mansoni DNA ligase IV 0.0041 0.0084 0.0172
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0207 1
Echinococcus granulosus tar DNA binding protein 0.0843 0.2582 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0041 0.0084 0.0636
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0026 0.0039 0.0069
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0121 0.3033
Echinococcus multilocularis TGF beta signal transducer SmadC 0.022 0.0641 0.2341
Loa Loa (eye worm) hypothetical protein 0.0366 0.1096 0.1096
Brugia malayi Pax transcription activation domain interacting protein 0.0041 0.0084 0.0078
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0207 0.1558
Trichomonas vaginalis replication factor C large subunit, putative 0.0041 0.0084 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0065 0.0058
Brugia malayi Calcitonin receptor-like protein seb-1 0.2088 0.6455 0.6453
Echinococcus granulosus smad 0.022 0.0641 0.2479
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0121 0.3033
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0019 0.0015 0.0923
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0106 0.0289 0.105
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0019 0.0015 0.0249
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0661 0.2013 0.736

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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