Detailed information for compound 1327143

Basic information

Technical information
  • TDR Targets ID: 1327143
  • Name: ethyl 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4- [(3-methoxyphenyl)methyl]piperidine-4-carboxy late
  • MW: 427.533 | Formula: C25H33NO5
  • H donors: 1 H acceptors: 2 LogP: 4.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1(CCN(CC1)Cc1cccc(c1O)OCC)Cc1cccc(c1)OC
  • InChi: 1S/C25H33NO5/c1-4-30-22-11-7-9-20(23(22)27)18-26-14-12-25(13-15-26,24(28)31-5-2)17-19-8-6-10-21(16-19)29-3/h6-11,16,27H,4-5,12-15,17-18H2,1-3H3
  • InChiKey: SESCWBOJVLPNPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
  • 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-(3-ethoxy-2-hydroxy-benzyl)-4-(3-methoxybenzyl)isonipecotic acid ethyl ester
  • MLS000862735
  • SMR000319588
  • ethyl 1-(3-ethoxy-2-hydroxybenzyl)-4-(3-methoxybenzyl)piperidine-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus 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
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
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
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0018 0.0018
Echinococcus multilocularis isocitrate dehydrogenase 0.005 0.0413 0.075
Brugia malayi hypothetical protein 0.0182 0.174 0.174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0464 0.0842
Entamoeba histolytica hypothetical protein 0.0043 0.0346 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0021 0.0122 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.005 0.0413 0.0413
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 1
Schistosoma mansoni hypothetical protein 0.0688 0.6808 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0318 0.3103 0.4558
Echinococcus multilocularis calpain A 0.0082 0.073 0.1325
Brugia malayi MH2 domain containing protein 0.0012 0.0027 0.0027
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0142 0.3448
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0413 0.075
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0172 0.0311
Echinococcus multilocularis mothers against decapentaplegic 6 0.0012 0.0027 0.0049
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0142 0.3448
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0464 0.0842
Schistosoma mansoni hypothetical protein 0.0318 0.3103 0.4558
Schistosoma mansoni Smad4 0.0026 0.0172 0.0252
Schistosoma mansoni Smad4 0.0012 0.0027 0.004
Echinococcus multilocularis GPCR, family 2 0.0318 0.3103 0.5631
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 1
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0413 0.7257
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0413 0.7257
Schistosoma mansoni hypothetical protein 0.0043 0.0346 0.0508
Brugia malayi calpain 5 0.0023 0.0142 0.0142
Brugia malayi hypothetical protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) MH1 domain-containing protein 0.0012 0.0027 0.0027
Brugia malayi calpain family protein 1 0.0078 0.069 0.069
Schistosoma mansoni tar DNA-binding protein 0.0408 0.4003 0.588
Echinococcus granulosus neuropeptide s receptor 0.0558 0.551 1
Toxoplasma gondii ATPase, AAA family protein 0.0021 0.0122 0.2142
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0142 0.0258
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.073 0.1073
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0142 0.3448
Brugia malayi MH1 domain containing protein 0.0014 0.0055 0.0055
Trypanosoma cruzi kinesin, putative 0.0023 0.0142 0.3448
Schistosoma mansoni smad1 5 8 and 0.0026 0.0172 0.0252
Loa Loa (eye worm) TAR-binding protein 0.0408 0.4003 0.4003
Entamoeba histolytica hypothetical protein 0.0043 0.0346 1
Brugia malayi calpain 7 0.0023 0.0142 0.0142
Echinococcus granulosus replication factor c subunit 1 0.0021 0.0122 0.0221
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.005 0.0413 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Brugia malayi MH2 domain containing protein 0.0382 0.3745 0.3745
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0021 0.0122 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.073 0.1325
Schistosoma mansoni chromosome transmission fidelity factor 0.0021 0.0122 0.0179
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0018 0.0032
Schistosoma mansoni eyes absent homolog 0.0093 0.0846 0.1242
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0183 0.4431
Schistosoma mansoni Smad4 0.0012 0.0027 0.004
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0413 0.075
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0021 0.0122 0.0122
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0648 0.0952
Loa Loa (eye worm) hypothetical protein 0.0055 0.0458 0.0458
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.551 1
Entamoeba histolytica calpain large subunit domain III containing protein 0.0023 0.0142 0.4117
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Brugia malayi mothers against decapentaplegic homolog 3 0.0012 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0318 0.3103 0.4558
Schistosoma mansoni calpain (C02 family) 0.0023 0.0142 0.0209
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0142 0.0258
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0183 0.3216
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0318 0.3103 0.3103
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0142 0.3448
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0027
Onchocerca volvulus 0.0035 0.0258 0.1483
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0172 0.0252
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0458 0.0832
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0464 0.0682
Brugia malayi MH1 domain containing protein 0.0026 0.0172 0.0172
Brugia malayi Latrophilin receptor protein 2 0.0318 0.3103 0.3103
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0183 0.4431
Schistosoma mansoni cpg binding protein 0.0037 0.0278 0.0408
Echinococcus multilocularis tar DNA binding protein 0.0408 0.4003 0.7264
Trypanosoma cruzi FHA domain containing protein, putative 0.0021 0.0122 0.2952
Brugia malayi MH1 domain containing protein 0.0014 0.0055 0.0055
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0021 0.0122 0.3524
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0172 0.0311
Echinococcus granulosus cpg binding protein 0.0037 0.0278 0.0504
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0142 0.0209
Schistosoma mansoni smad 0.0012 0.0027 0.004
Brugia malayi Smad1 0.0026 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0014 0.0055 0.0055
Echinococcus granulosus mothers against decapentaplegic 2 0.0012 0.0027 0.0049
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0122 0.2952
Leishmania major hypothetical protein, conserved 0.0027 0.0183 0.4431
Loa Loa (eye worm) hypothetical protein 0.1006 1 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0012 0.0027 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0408 0.4003 0.588
Brugia malayi hypothetical protein 0.0021 0.0122 0.0122
Schistosoma mansoni tar DNA-binding protein 0.0408 0.4003 0.588
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0142 0.3448
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0318 0.3103 0.5631
Brugia malayi RNA recognition motif domain containing protein 0.0408 0.4003 0.4003
Echinococcus multilocularis calpain 0.0023 0.0142 0.0258
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0458 0.0458
Echinococcus multilocularis nibrin 0.0021 0.0122 0.0221
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0142 0.0209
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0408 0.4003 0.4003
Echinococcus granulosus calpain A 0.0082 0.073 0.1325
Plasmodium falciparum replication factor C subunit 1, putative 0.0021 0.0122 0.2952
Brugia malayi latrophilin 2 splice variant baaae 0.0688 0.6808 0.6808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0464 0.0842
Entamoeba histolytica hypothetical protein 0.0021 0.0122 0.3524
Brugia malayi Pax transcription activation domain interacting protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0172 0.0172
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0346 0.0628
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0413 1
Schistosoma mansoni cpg binding protein 0.0035 0.0258 0.0379
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0142 0.3448
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0023 0.0142 0.3448
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0017 0.0017
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0258 0.0258
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0021 0.0122 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0021 0.0122 0.2952
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0318 0.3103 0.5631
Brugia malayi MH2 domain containing protein 0.0026 0.0172 0.0172
Echinococcus granulosus GPCR family 2 0.0318 0.3103 0.5631
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0413 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.005 0.0413 0.075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0464 0.0842
Trypanosoma brucei isocitrate dehydrogenase, putative 0.005 0.0413 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0172 0.0311
Echinococcus granulosus Smad4 0.0026 0.0172 0.0311
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0183 0.4431
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0318 0.3103 0.5631
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0142 0.0209
Echinococcus granulosus calpain 0.0023 0.0142 0.0258
Echinococcus granulosus calpain A 0.0023 0.0142 0.0258
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.005 0.0413 0.0607
Schistosoma mansoni smad1 5 8 and 0.0026 0.0172 0.0252
Echinococcus multilocularis calpain 5 0.0023 0.0142 0.0258
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1006 1 1
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0142 0.0209
Loa Loa (eye worm) hypothetical protein 0.0055 0.0458 0.0458
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0142 0.3448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0464 0.0682
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0021 0.0122 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0846 0.0846
Entamoeba histolytica hypothetical protein 0.0043 0.0346 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.005 0.0413 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 1
Schistosoma mansoni hypothetical protein 0.0012 0.0033 0.0048
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.551 1
Brugia malayi hypothetical protein 0.0093 0.0846 0.0846
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0142 0.3448
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0023 0.0142 0.3448
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.005 0.0413 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.551 1
Schistosoma mansoni topbp1 0.0021 0.0122 0.0179
Plasmodium vivax calpain, putative 0.0023 0.0142 0.3448
Brugia malayi MH1 domain containing protein 0.0026 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0346 0.0508
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0183 0.4431
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0346 0.0628
Chlamydia trachomatis DNA ligase 0.0021 0.0122 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0172 0.0311
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0033 0.0059
Brugia malayi hypothetical protein 0.0027 0.0183 0.0183
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0413 0.075
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0413 1
Brugia malayi MH2 domain containing protein 0.0026 0.0172 0.0172
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.069 0.1014
Echinococcus multilocularis hypothetical protein 0.0023 0.0142 0.0258
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.073 0.1073
Brugia malayi Calcitonin receptor-like protein seb-1 0.1006 1 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0021 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.069 0.069
Brugia malayi isocitrate dehydrogenase 0.005 0.0413 0.0413
Schistosoma mansoni DNA ligase IV 0.0021 0.0122 0.0179
Echinococcus granulosus calpain 5 0.0023 0.0142 0.0258
Schistosoma mansoni topbp1 0.0021 0.0122 0.0179
Echinococcus multilocularis smad 0.0026 0.0172 0.0311
Loa Loa (eye worm) hypothetical protein 0.0093 0.0846 0.0846
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0464 0.0682
Brugia malayi RNA binding protein 0.0408 0.4003 0.4003
Brugia malayi hypothetical protein 0.0018 0.0086 0.0086
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.005 0.0413 1
Loa Loa (eye worm) transcription factor SMAD2 0.0382 0.3745 0.3745
Brugia malayi topoisomerase 0.0021 0.0122 0.0122
Echinococcus multilocularis mothers against decapentaplegic 2 0.0012 0.0027 0.0049
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0122 0.2952
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0021 0.0122 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0278 0.0504
Schistosoma mansoni tar DNA-binding protein 0.0408 0.4003 0.588
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0183 0.4431
Onchocerca volvulus 0.0021 0.0122 0.0701
Brugia malayi TAR-binding protein 0.0408 0.4003 0.4003
Echinococcus multilocularis Smad4 0.0026 0.0172 0.0311
Onchocerca volvulus 0.0055 0.0458 0.2634
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0318 0.3103 0.5631
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0464 0.0464
Brugia malayi Isocitrate dehydrogenase 0.005 0.0413 0.0413
Entamoeba histolytica hypothetical protein 0.0043 0.0346 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0122 0.2952
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0021 0.0122 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0183 0.4431
Loa Loa (eye worm) calpain 5 0.0023 0.0142 0.0142
Plasmodium vivax replication factor C subunit 1, putative 0.0021 0.0122 0.2952
Schistosoma mansoni smad 0.0026 0.0172 0.0252
Loa Loa (eye worm) nuclear factor I 0.0014 0.0055 0.0055
Echinococcus granulosus smad 0.0026 0.0172 0.0311
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0569 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0021 0.0122 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0142 0.3448
Loa Loa (eye worm) hypothetical protein 0.0318 0.3103 0.3103
Entamoeba histolytica protein kinase, putative 0.0023 0.0142 0.4117
Giardia lamblia Replication factor C, subunit 1 0.0021 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0183 0.0183
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.073 0.1325
Echinococcus multilocularis replication factor c subunit 1 0.0021 0.0122 0.0221
Brugia malayi CXXC zinc finger family protein 0.0035 0.0258 0.0258
Schistosoma mansoni smad1 5 8 and 0.0026 0.0172 0.0252
Schistosoma mansoni hypothetical protein 0.0318 0.3103 0.4558
Treponema pallidum DNA ligase (lig) 0.0021 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) MH2 domain-containing protein 0.0382 0.3745 0.3745
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 1
Schistosoma mansoni cpg binding protein 0.0037 0.0278 0.0408
Loa Loa (eye worm) calpain 0.0023 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0078 0.069 0.069
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.005 0.0413 0.075
Loa Loa (eye worm) MH2 domain-containing protein 0.0012 0.0027 0.0027
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0033 0.0059
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0018 0.0032
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0142 0.3448
Brugia malayi DKFZp564C0469 protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0021 0.0122 0.0122
Loa Loa (eye worm) latrophilin receptor protein 2 0.0318 0.3103 0.3103
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0021 0.0122 0.2142
Schistosoma mansoni tar DNA-binding protein 0.0408 0.4003 0.588
Loa Loa (eye worm) hypothetical protein 0.0688 0.6808 0.6808
Echinococcus granulosus nibrin 0.0021 0.0122 0.0221
Trypanosoma brucei kinesin, putative 0.0023 0.0142 0.3448
Loa Loa (eye worm) RNA binding protein 0.0408 0.4003 0.4003
Loa Loa (eye worm) hypothetical protein 0.0182 0.174 0.174
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0122 1
Brugia malayi calpain family protein 1 0.0078 0.069 0.069
Trypanosoma brucei antigen, putative 0.0023 0.0142 0.3448
Loa Loa (eye worm) Smad1 0.0026 0.0172 0.0172
Onchocerca volvulus 0.0182 0.174 1
Echinococcus granulosus tar DNA binding protein 0.0408 0.4003 0.7264
Trypanosoma cruzi kinesin, putative 0.0023 0.0142 0.3448
Brugia malayi hypothetical protein 0.0043 0.0346 0.0346
Loa Loa (eye worm) calpain family protein 1 0.0078 0.069 0.069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0464 0.0464
Leishmania major kinesin, putative 0.0023 0.0142 0.3448
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0012 0.0027 0.0156

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.299559367 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 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) = 8.9125 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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