Detailed information for compound 1326159

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.32 | Formula: C17H16N2O4
  • H donors: 2 H acceptors: 2 LogP: 2.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)O)c1n[nH]cc1Oc1cccc(c1)OC
  • InChi: 1S/C17H16N2O4/c1-21-11-4-3-5-13(8-11)23-16-10-18-19-17(16)14-7-6-12(22-2)9-15(14)20/h3-10,20H,1-2H3,(H,18,19)
  • InChiKey: SYMWRIYHMQTJMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus dnaJ subfamily B 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
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
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.669 0.669
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0473 0.0473
Onchocerca volvulus 0.006 0.062 1
Schistosoma mansoni cpg binding protein 0.0035 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0437 1
Loa Loa (eye worm) choline Kinase A 0.0034 0.0302 0.068
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0044 0.0048
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0473 0.0451
Schistosoma mansoni cpg binding protein 0.0037 0.034 0.034
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0048
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0625 0.1478
Echinococcus multilocularis geminin 0.0205 0.2377 0.2377
Loa Loa (eye worm) hypothetical protein 0.006 0.062 0.1461
Onchocerca volvulus 0.0035 0.0316 0.473
Echinococcus multilocularis neuropeptide s receptor 0.056 0.669 0.669
Echinococcus granulosus RUN 0.0048 0.0473 0.0473
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0494 0.5885 0.5885
Echinococcus granulosus neuropeptide s receptor 0.056 0.669 0.669
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0044 0.0048
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0437 0.0437
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0026 0.0026
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0044 0.0044
Onchocerca volvulus 0.0033 0.029 0.4285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0044
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0126 0.0252
Loa Loa (eye worm) hypothetical protein 0.0032 0.0283 0.0633
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5885 0.5885
Brugia malayi Choline/ethanolamine kinase family protein 0.0034 0.0302 0.0684
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0044 0.0044
Loa Loa (eye worm) choline/ethanolamine kinase 0.0346 0.4093 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0044 0.0044
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0044 0.0044
Schistosoma mansoni polycystin 1-related 0.0048 0.0473 0.0473
Schistosoma mansoni lipoxygenase 0.0133 0.1512 0.1512
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0034 0.0302 0.068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0044
Schistosoma mansoni coup transcription factor 0.0012 0.0044 0.0044
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0044 0.0044
Echinococcus multilocularis GPCR, family 2 0.0019 0.0126 0.0126
Onchocerca volvulus 0.0033 0.029 0.4285
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0048
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.3322 0.8104
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0316 0.0714
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0044 0.0048
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0126 0.0126
Schistosoma mansoni rab6-interacting 0.0048 0.0473 0.0473
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0437 0.0437
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0016 0.0086 0.0149
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0788 0.0788
Echinococcus granulosus tumor protein p63 0.0408 0.4843 0.4843
Plasmodium falciparum choline kinase 0.0346 0.4093 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0437 1
Schistosoma mansoni hypothetical protein 0.0048 0.0473 0.0473
Loa Loa (eye worm) hypothetical protein 0.0045 0.0437 0.1011
Schistosoma mansoni hypothetical protein 0.0205 0.2377 0.2377
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0044 0.0044
Brugia malayi follicle stimulating hormone receptor 0.0283 0.3322 0.8105
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0048
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0473 0.0473
Echinococcus multilocularis RUN 0.0048 0.0473 0.0473
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0437 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0473 0.11
Schistosoma mansoni hypothetical protein 0.0205 0.2377 0.2377
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0473 0.0473
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0048
Echinococcus granulosus geminin 0.0205 0.2377 0.2377
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0126 0.0126
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0107 0.0204
Echinococcus granulosus neuropeptide receptor A26 0.056 0.669 0.669
Brugia malayi ecdysteroid receptor 0.0012 0.0044 0.0048
Loa Loa (eye worm) hypothetical protein 0.0015 0.0079 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0048
Schistosoma mansoni hypothetical protein 0.0019 0.0126 0.0126
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0437 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0437 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0437 0.0437
Onchocerca volvulus 0.0048 0.0473 0.7453
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0437 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0437 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.0048
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0126 0.0126
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0126 0.0126
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0044
Echinococcus multilocularis lamin dm0 0.0033 0.029 0.029
Schistosoma mansoni hypothetical protein 0.0019 0.0126 0.0126
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0625 0.1478
Echinococcus multilocularis lamin 0.0033 0.029 0.029
Schistosoma mansoni cellular tumor antigen P53 0.006 0.062 0.062
Brugia malayi nuclear hormone receptor 0.0012 0.0044 0.0048
Schistosoma mansoni lamin 0.0033 0.029 0.029
Echinococcus multilocularis cpg binding protein 0.0037 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0048 0.0473 0.11
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0034 0.0302 0.4488
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0044 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0044 0.0044
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0437 0.0437
Schistosoma mansoni choline/ethanolamine kinase 0.0034 0.0302 0.0302
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0044 0.0048
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0044 0.0044
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0473 0.0473
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0437 0.1015
Schistosoma mansoni hypothetical protein 0.0019 0.0126 0.0126
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0086 0.0086
Loa Loa (eye worm) intermediate filament protein 0.0033 0.029 0.0651
Loa Loa (eye worm) hypothetical protein 0.0015 0.0079 0.0131
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0044 0.0044
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0437 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0044
Brugia malayi Doublecortin family protein 0.0048 0.0473 0.1103
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0044 0.0048
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0437 1
Echinococcus granulosus choline:ethanolamine kinase 0.0346 0.4093 0.4093
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0107 0.02
Schistosoma mansoni loxhd1 0.0048 0.0473 0.0473
Schistosoma mansoni intermediate filament proteins 0.0033 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0033 0.029 0.0651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0044 0.0044
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0692 0.1029
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0044 0.0048
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0044 0.0044
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0044 0.0044
Echinococcus granulosus ethanolamine kinase 2 0.0034 0.0302 0.0302
Brugia malayi Choline/ethanolamine kinase family protein 0.0346 0.4093 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5885 0.5885
Brugia malayi Choline/ethanolamine kinase family protein 0.0034 0.0302 0.0684
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0044 0.0044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0044 0.0048
Schistosoma mansoni rab6-interacting 0.0048 0.0473 0.0473
Schistosoma mansoni hypothetical protein 0.0041 0.0395 0.0395
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0625 0.1475
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.029 0.0651
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Schistosoma mansoni lipoxygenase 0.0048 0.0473 0.0473
Brugia malayi hypothetical protein 0.0048 0.0473 0.1103
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0437 0.0437
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0044 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0044 0.0044
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0437 0.0437
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0473 0.0473
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0044
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0395 0.0911
Echinococcus granulosus lamin dm0 0.0033 0.029 0.029
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0044 0.0044
Schistosoma mansoni choline/ethanolamine kinase 0.0034 0.0302 0.0302
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0044 0.0044
Brugia malayi intermediate filament protein 0.0033 0.029 0.0655
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus granulosus intermediate filament protein 0.0033 0.029 0.029
Echinococcus multilocularis tumor protein p63 0.0408 0.4843 0.4843
Echinococcus granulosus GPCR family 2 0.0019 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0019 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0473 0.11
Echinococcus granulosus lamin 0.0033 0.029 0.029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0126 0.0252
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0473 0.0451
Schistosoma mansoni cpg binding protein 0.0037 0.034 0.034
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0133 0.1512 0.1512
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0437 0.0437
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus multilocularis musashi 0.0033 0.029 0.029
Echinococcus granulosus cpg binding protein 0.0037 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0044 0.0048
Plasmodium vivax choline kinase, putative 0.0346 0.4093 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0126 0.0248
Brugia malayi steroid hormone receptor 0.0012 0.0044 0.0048
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0473 0.0473
Loa Loa (eye worm) choline/ethanolamine kinase 0.0034 0.0302 0.068
Loa Loa (eye worm) hypothetical protein 0.006 0.0625 0.1475
Schistosoma mansoni lamin 0.0033 0.029 0.029
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0026 0.0026
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0133 0.1512 0.1512
Echinococcus multilocularis ethanolamine kinase 2 0.0034 0.0302 0.0302
Echinococcus multilocularis choline:ethanolamine kinase 0.0346 0.4093 0.4093
Schistosoma mansoni choline kinase 0.0034 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0248
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.0907
Brugia malayi nuclear receptor NHR-88 0.0012 0.0044 0.0048
Onchocerca volvulus 0.0034 0.0302 0.4488
Toxoplasma gondii phosphotransferase enzyme family protein 0.0346 0.4093 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0316 0.0718
Onchocerca volvulus 0.0048 0.0473 0.7453
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0044
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.029 0.0655
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0044
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0044 0.0044
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0437 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0044 0.0044
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0044 0.0048
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0044 0.0044
Brugia malayi hypothetical protein 0.0048 0.0473 0.1103

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5104 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 8.9125 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 Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (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) 12.5893 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) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 22.3872 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) 23.1093 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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