Detailed information for compound 1258280

Basic information

Technical information
  • TDR Targets ID: 1258280
  • Name: 2-[4-[di(phenyl)methyl]piperazin-1-yl]-N-(phe nylmethyl)acetamide
  • MW: 399.528 | Formula: C26H29N3O
  • H donors: 1 H acceptors: 1 LogP: 4.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)NCc1ccccc1
  • InChi: 1S/C26H29N3O/c30-25(27-20-22-10-4-1-5-11-22)21-28-16-18-29(19-17-28)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2,(H,27,30)
  • InChiKey: LQGMWJQGYLWKBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[di(phenyl)methyl]-1-piperazinyl]-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[4-[di(phenyl)methyl]piperazin-1-yl]acetamide
  • 2-[4-[di(phenyl)methyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide
  • SMR000285928
  • 2-(4-Benzhydryl-piperazin-1-yl)-N-benzyl-acetamide
  • ASN 01890348
  • MLS000678074

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
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
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi extracellular receptor, putative 0.002 0.001 0.0006
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0139 0.5654
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0171 0.0805
Plasmodium vivax ataxin-2 like protein, putative 0.0084 0.0286 1
Schistosoma mansoni inositol transporter 0.0046 0.0124 0.012
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0038 0.1085
Loa Loa (eye worm) hypothetical protein 0.0034 0.0071 0.0071
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0257 0.1025 0.1021
Echinococcus multilocularis solute carrier family 5 0.0046 0.0124 0.012
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.025 0.0246
Schistosoma mansoni inositol transporter 0.0046 0.0124 0.012
Entamoeba histolytica hypothetical protein 0.0037 0.0082 0.2324
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0187 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Brugia malayi Receptor family ligand binding region containing protein 0.002 0.001 0.0006
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0032 0.0065 0.0061
Echinococcus multilocularis receptor type guanylyl cyclase 0.002 0.001 0.0006
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0097 0.034 0.0336
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0239 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.2311 0.2308
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0124 0.012
Echinococcus granulosus dnaJ subfamily B 0.0494 0.2036 0.2032
Schistosoma mansoni glutamate receptor NMDA 0.002 0.001 0.0006
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0097 0.034 0.0333
Schistosoma mansoni hypothetical protein 0.0035 0.0075 0.007
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0032 0.0065 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0171 0.0805
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0097 0.034 1
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0247 0.0243
Schistosoma mansoni hypothetical protein 0.0037 0.0082 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Schistosoma mansoni fkbp-rapamycin associated protein 0.0018 0.0004 0.000000011328
Loa Loa (eye worm) hypothetical protein 0.002 0.0011 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0149 0.07
Loa Loa (eye worm) glutamate receptor 0.0209 0.0819 0.0819
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0162 0.0158
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0003
Loa Loa (eye worm) transcription factor SMAD2 0.027 0.1078 0.1078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0065 0.0292
Toxoplasma gondii hypothetical protein 0.0026 0.0038 0.0033
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0877 0.3672 0.367
Loa Loa (eye worm) RGC/RGC protein kinase 0.002 0.001 0.001
Trypanosoma cruzi PAB1-binding protein , putative 0.0084 0.0286 0.0282
Loa Loa (eye worm) hypothetical protein 0.0257 0.1025 0.1025
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0074 0.0074
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0075 0.007
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0175 0.0674 0.067
Schistosoma mansoni metabotropic glutamate receptor 0.0102 0.0361 0.0357
Echinococcus granulosus receptor type guanylyl cyclase 0.002 0.001 0.0006
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0008 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0037 0.0158
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Echinococcus multilocularis nmda type glutamate receptor 0.002 0.001 0.0006
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0077 0.0256 0.0251
Brugia malayi isocitrate dehydrogenase 0.0019 0.0008 0.0003
Toxoplasma gondii target of rapamycin (TOR), putative 0.0072 0.0234 0.023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0255 0.1212
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 1
Plasmodium vivax SET domain protein, putative 0.0064 0.02 0.6902
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.004 0.0098 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.015 0.0701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.028 0.1329
Echinococcus granulosus atrial natriuretic peptide receptor 0.002 0.001 0.0006
Schistosoma mansoni protein kinase 0.002 0.001 0.0006
Echinococcus multilocularis zinc finger protein 0.0021 0.0016 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0065 0.0292
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.02 0.0195
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.02 0.0195
Trypanosoma cruzi target of rapamycin kinase 3 0.0077 0.0256 0.0251
Echinococcus granulosus GPCR family 3 C terminal 0.0034 0.0071 0.0067
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.002 0.001 0.0006
Schistosoma mansoni hypothetical protein 0.0034 0.0071 0.0067
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0097 0.034 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0075 0.007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0162 0.0158
Loa Loa (eye worm) glutamate receptor 0.0082 0.0277 0.0277
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0008 0.0003
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.1719 0.1715
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0239 0.0235
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.0396 0.0392
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0076 0.025 0.0246
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0124 0.012
Brugia malayi Pre-SET motif family protein 0.0064 0.02 0.0195
Loa Loa (eye worm) hypothetical protein 0.0044 0.0113 0.0113
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0032 0.0065 0.0061
Loa Loa (eye worm) MH2 domain-containing protein 0.027 0.1078 0.1078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0065 0.0292
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 0.8719
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0032 0.0065 0.0057
Brugia malayi Metabotropic glutamate receptor precursor. 0.0209 0.0819 0.0814
Loa Loa (eye worm) Smad1 0.0018 0.0005 0.0005
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0054 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0149 0.07
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0082 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.015 0.0701
Onchocerca volvulus 0.0064 0.02 0.0919
Entamoeba histolytica hypothetical protein 0.002 0.001 0.0168
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0013 0.0043
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.025 0.0246
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0139 0.5654
Loa Loa (eye worm) hypothetical protein 0.0046 0.0124 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0173 0.0816
Echinococcus granulosus glutamate receptor 2 0.002 0.001 0.0006
Loa Loa (eye worm) hypothetical protein 0.0054 0.0155 0.0155
Schistosoma mansoni cellular tumor antigen P53 0.0265 0.1056 0.1052
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0238 0.0941 0.0937
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0124 0.012
Loa Loa (eye worm) hypothetical protein 0.0069 0.0222 0.0222
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0097 0.034 0.0336
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0075 0.007
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.025 0.8719
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0075 0.007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.0396 0.0396
Brugia malayi Receptor family ligand binding region containing protein 0.0054 0.0155 0.0151
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2359 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2359 1 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0032 0.0065 0.0061
Onchocerca volvulus 0.0035 0.0074 0.0311
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0184 0.018
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0097 0.034 0.0336
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0008 0.0003
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.025 0.0246
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0162 0.0158
Onchocerca volvulus Poor gastrulation protein homolog 0.0034 0.0071 0.0295
Brugia malayi Bromodomain containing protein 0.0037 0.0086 0.0082
Schistosoma mansoni metabotropic glutamate receptor 0.0175 0.0674 0.067
Echinococcus multilocularis tyrosine kinase 0.002 0.001 0.0006
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0124 0.012
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.002 0.001 0.001
Brugia malayi MH2 domain containing protein 0.027 0.1078 0.1074
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0065 0.0292
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0097 0.034 0.0333
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Toxoplasma gondii fructose-bisphospatase II 0.2359 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0084 0.0286 1
Echinococcus granulosus zinc finger protein 0.0021 0.0016 0.0012
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.002 0.001 0.0006
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0038 0.1085
Loa Loa (eye worm) hypothetical protein 0.0084 0.0286 0.0286
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0239 0.0232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0173 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0239 0.0235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0162 0.0158
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0012 0.0012
Brugia malayi Probable ClpP-like protease 0.0076 0.025 0.0246
Echinococcus multilocularis atrial natriuretic peptide receptor 0.002 0.001 0.0006
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.002 0.001 0.0006
Echinococcus multilocularis tumor protein p63 0.1808 0.7646 0.7645
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0046 0.0122 0.0117
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0034 0.0071 0.0067
Toxoplasma gondii non-specific serine/threonine protein kinase 0.002 0.0013 0.0009
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0162 0.0158
Schistosoma mansoni hypothetical protein 0.0035 0.0075 0.007
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0004
Brugia malayi Bromodomain containing protein 0.0075 0.0248 0.0244
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0239 0.0235
Echinococcus granulosus metabotropic glutamate receptor 5 0.0257 0.1025 0.1021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.034 0.1621
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.002 0.001 0.0006
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.2311 0.2308
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0239 0.0235
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0139 0.0134
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0076 0.0072
Leishmania major extracellular receptor, putative 0.002 0.001 0.0002
Echinococcus granulosus histone lysine methyltransferase setb 0.0081 0.0271 0.0267
Schistosoma mansoni bromodomain containing protein 0.0064 0.0199 0.0195
Trypanosoma cruzi PAB1-binding protein , putative 0.0084 0.0286 0.0282
Echinococcus granulosus tumor protein p63 0.1808 0.7646 0.7645
Brugia malayi metabotropic glutamate receptor type 2 0.0102 0.0361 0.0357
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0877 0.3672 0.367
Echinococcus multilocularis glutamate receptor 2 0.002 0.001 0.0006
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2359 1 1
Brugia malayi hypothetical protein 0.0037 0.0082 0.0078
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0076 0.0072
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0003
Onchocerca volvulus 0.0265 0.1056 0.5067
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0139 0.4744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.034 0.1621
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0124 0.012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0162 0.0158
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0054 0.0155 0.0155
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0139 0.0134
Echinococcus multilocularis GPCR, family 2 0.0035 0.0075 0.007
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0075 0.007
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0097 0.034 0.0336
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.002 0.001 0.0006
Leishmania major hypothetical protein, conserved 0.0084 0.0286 0.0279
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.2036 0.2032
Echinococcus multilocularis cpg binding protein 0.0039 0.0091 0.0086
Loa Loa (eye worm) hypothetical protein 0.0035 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Schistosoma mansoni cpg binding protein 0.0035 0.0074 0.007
Brugia malayi CXXC zinc finger family protein 0.0035 0.0074 0.007
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0097 0.034 0.0336
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0008 0.0003
Entamoeba histolytica hypothetical protein 0.0037 0.0082 0.2324
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.0227 0.0222
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0065 0.0061
Loa Loa (eye worm) hypothetical protein 0.002 0.0013 0.0013
Echinococcus granulosus neuropeptide s receptor 0.0558 0.2311 0.2308
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0082 0.0078
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0008 0.0003
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0034 0.0071 0.0295
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.02 0.0195
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0097 0.034 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0255 0.1212
Trichomonas vaginalis set domain proteins, putative 0.0503 0.2074 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0029 0.0024
Brugia malayi GH02984p 0.042 0.1719 0.1715
Echinococcus granulosus nmda type glutamate receptor 0.002 0.001 0.0006
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0008 0.0008
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0038 0.0088 0.0083
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0877 0.3672 0.367
Schistosoma mansoni hypothetical protein 0.0038 0.0088 0.0083
Echinococcus granulosus glutamate receptor 2 0.002 0.001 0.0006
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.025 0.0246
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0239 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0255 0.1212
Schistosoma mansoni tyrosine kinase 0.002 0.001 0.0006
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0195 0.092
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.025 0.0246
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0082 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.015 0.0701
Schistosoma mansoni sodium/solute symporter 0.0046 0.0124 0.012
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4108 0.4106
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 1
Schistosoma mansoni cpg binding protein 0.0039 0.0091 0.0086
Brugia malayi metabotropic GABA-B receptor subtype 2 0.002 0.001 0.0006
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0077 0.0256 0.0248
Loa Loa (eye worm) RGC/RGC protein kinase 0.002 0.001 0.001
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0124 0.012
Entamoeba histolytica hypothetical protein 0.0037 0.0082 0.2324
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0003
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0075 0.0075
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.002 0.001 0.0006
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0008 0.0003
Loa Loa (eye worm) hypothetical protein 0.0265 0.1056 0.1056
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0008 0.0003
Echinococcus multilocularis GPCR, family 3, C terminal 0.0034 0.0071 0.0067
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0003
Echinococcus granulosus tyrosine kinase 0.002 0.001 0.0006
Onchocerca volvulus 0.0503 0.2074 1
Echinococcus granulosus GPCR family 2 0.0035 0.0075 0.007
Trypanosoma brucei PAB1-binding protein , putative 0.0084 0.0286 0.0282
Loa Loa (eye worm) RGC/RGC protein kinase 0.002 0.001 0.001
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0877 0.3672 0.367
Schistosoma mansoni high-affinity choline transporter 0.042 0.1719 0.1715
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0097 0.034 0.0336
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0271 0.0267
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0162 0.0158
Loa Loa (eye worm) hypothetical protein 0.0038 0.0086 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0058 0.0173 0.0816
Echinococcus granulosus high affinity choline transporter 1 0.042 0.1719 0.1715
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0005 0.0005
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2359 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0082 0.2324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0065 0.0292
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.002 0.001 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0149 0.07
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0184 0.018
Echinococcus multilocularis glutamate receptor 2 0.002 0.001 0.0006
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.025 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0029 0.0024
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Toxoplasma gondii LsmAD domain-containing protein 0.0084 0.0286 0.0282
Plasmodium falciparum ataxin-2 like protein, putative 0.0084 0.0286 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0255 0.1212
Loa Loa (eye worm) hypothetical protein 0.0081 0.0271 0.0271
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2359 1 1
Brugia malayi Guanylyl cyclase protein 23 0.002 0.001 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.02 0.0195
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0097 0.034 0.0336
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0032 0.0065 0.0061
Leishmania major 0.2359 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0032 0.0065 0.0061
Brugia malayi hypothetical protein 0.0054 0.0158 0.0154
Loa Loa (eye worm) hypothetical protein 0.0076 0.025 0.025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0234 0.1109
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0124 0.012
Toxoplasma gondii fructose-bisphospatase I 0.0877 0.3672 0.367
Schistosoma mansoni hypothetical protein 0.002 0.0012 0.0008
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0081 0.0271 0.0267
Onchocerca volvulus 0.0046 0.0124 0.0551
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0204 0.0963
Schistosoma mansoni cpg binding protein 0.0039 0.0091 0.0086
Brugia malayi PHD-finger family protein 0.0026 0.0039 0.0034
Schistosoma mansoni hypothetical protein 0.0035 0.0075 0.007
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2359 1 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0175 0.0674 0.067
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0008 0.0003
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0038 0.0088 0.0083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0162 0.0158
Loa Loa (eye worm) phosphatidylinositol 3 0.0097 0.034 0.034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0097 0.034 0.1621
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0124 0.012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.0396 0.0392
Schistosoma mansoni hypothetical protein 0.0075 0.0247 0.0243
Loa Loa (eye worm) hypothetical protein 0.0075 0.0247 0.0247
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.0442 0.1814 0.181
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0029 0.0024
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0032 0.0065 0.0061
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0008 0.0003
Leishmania major phosphatidylinositol 3-kinase, putative 0.0032 0.0065 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0271 0.0267
Schistosoma mansoni tyrosine kinase 0.002 0.001 0.0006
Echinococcus granulosus solute carrier family 5 0.0046 0.0124 0.012
Loa Loa (eye worm) hypothetical protein 0.042 0.1719 0.1719
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0189 0.0735 0.073
Schistosoma mansoni zinc finger protein 0.0021 0.0016 0.0012
Schistosoma mansoni hypothetical protein 0.0494 0.2036 0.2032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0077 0.0255 0.1212
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.002 0.001 0.0006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0075 0.007
Brugia malayi hypothetical protein 0.0084 0.0286 0.0282
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0124 0.012
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.011 0.0396 0.0396
Giardia lamblia GTOR 0.0097 0.034 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0008 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.015 0.0701
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.025 0.5
Echinococcus granulosus cpg binding protein 0.0039 0.0091 0.0086
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.2311 0.2308
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2359 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0442 0.1814 0.1814
Schistosoma mansoni hypothetical protein 0.0035 0.0075 0.007
Brugia malayi hypothetical protein 0.002 0.001 0.0006

Activities

Activity type Activity value Assay description Source 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) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) 8.9125 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
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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