Detailed information for compound 1605798

Basic information

Technical information
  • TDR Targets ID: 1605798
  • Name: 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5- dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)me thanimine
  • MW: 405.88 | Formula: C22H20ClN5O
  • H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)COc1ccc(cc1)n1c(C)cc(c1C)/C=N/n1cnnc1
  • InChi: 1S/C22H20ClN5O/c1-16-11-19(12-26-27-14-24-25-15-27)17(2)28(16)21-7-9-22(10-8-21)29-13-18-3-5-20(23)6-4-18/h3-12,14-15H,13H2,1-2H3/b26-12+
  • InChiKey: JAMPQIXPGFUGOH-RPPGKUMJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
  • 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine
  • [1-[4-(4-chlorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine
  • (E)-[1-[4-(4-chlorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine
  • MLS000534371
  • N-[(1-{4-[(4-chlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-4H-1,2,4-triazol-4-amine
  • SMR000141803
  • STK192374

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens X-box binding protein 1 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens sphingosine-1-phosphate receptor 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Mus musculus DNA-damage inducible transcript 3 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134980 All targets in OG5_134980
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Onchocerca volvulus 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0286 0.0246 0.0969
Onchocerca volvulus Huntingtin homolog 0.0148 0.0119 0.0422
Leishmania major basic transcription factor 3a, putative 0.0042 0.0021 0.2391
Echinococcus multilocularis lamin dm0 0.0033 0.0012 0.0012
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0056 1
Echinococcus multilocularis transcription factor btf3 0.0042 0.0021 0.0021
Echinococcus multilocularis X box binding protein 1 0.0348 0.0304 0.0304
Echinococcus multilocularis musashi 0.0033 0.0012 0.0012
Brugia malayi beta-NAC-like protein 0.0042 0.0021 0.0084
Echinococcus granulosus lamin dm0 0.0033 0.0012 0.0012
Echinococcus granulosus high affinity choline transporter 1 0.2768 0.2539 0.2539
Schistosoma mansoni survival motor neuron protein 0.0058 0.0036 0.0036
Brugia malayi hypothetical protein 0.0043 0.0023 0.0089
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0038 0.015
Entamoeba histolytica hypothetical protein 0.0043 0.0023 0.0327
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0021 1
Echinococcus granulosus neuropeptide receptor A26 0.0561 0.0501 0.0501
Echinococcus granulosus neuropeptide s receptor 0.0561 0.0501 0.0501
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0056 0.0056
Entamoeba histolytica hypothetical protein 0.0043 0.0023 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0021 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0056 1
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0021 0.2391
Schistosoma mansoni hypothetical protein 0.0043 0.0023 0.0023
Echinococcus multilocularis sodium:myo inositol cotransporter 1.0848 1 1
Brugia malayi Sodium:solute symporter family protein 0.2768 0.2539 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0021 0.5
Schistosoma mansoni high-affinity choline transporter 0.2768 0.2539 0.2539
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.0887 0.0887
Brugia malayi hypothetical protein 0.0148 0.0119 0.0469
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0056 0.0056
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0012 0.0049
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0036 0.0143
Echinococcus granulosus transcription factor btf3 0.0042 0.0021 0.0021
Brugia malayi GH02984p 0.2768 0.2539 1
Schistosoma mansoni hypothetical protein 0.0041 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0047
Echinococcus granulosus X box binding protein 1 0.0348 0.0304 0.0304
Echinococcus multilocularis solute carrier family 5 1.0848 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0056 1
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0021 0.0084
Brugia malayi intermediate filament protein 0.0033 0.0012 0.0049
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0033 0.0012 0.0049
Echinococcus granulosus solute carrier family 5 1.0848 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0012 0.0049
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0021 0.2391
Onchocerca volvulus 0.0058 0.0036 0.0094
Schistosoma mansoni inositol transporter 1.0848 1 1
Echinococcus multilocularis lamin 0.0033 0.0012 0.0012
Brugia malayi hypothetical protein 0.0286 0.0246 0.0969
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0038 0.015
Schistosoma mansoni inositol transporter 1.0848 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0752 0.0752
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0023 0.0023
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0056 0.0221
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0038 0.015
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.2768 0.2539 0.2539
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0025 0.0025
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0012 0.0049
Entamoeba histolytica hypothetical protein 0.0043 0.0023 0.0327
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0056 1
Schistosoma mansoni hypothetical protein 0.0348 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0041 0.002 0.008
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0752 0.0752
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.2768 0.2539 0.2539
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0021 0.0043
Entamoeba histolytica hypothetical protein 0.0043 0.0023 0.0327
Schistosoma mansoni transcription factor btf3 0.0042 0.0021 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0021 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0561 0.0501 0.0501
Onchocerca volvulus 0.2768 0.2539 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0025 0.0025
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0056 0.0221
Brugia malayi hypothetical protein 0.002 0.0001 0.0002
Echinococcus granulosus intermediate filament protein 0.0033 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0148 0.0119 0.0469
Brugia malayi hypothetical protein 0.003 0.0011 0.0041
Echinococcus granulosus lamin 0.0033 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.006 0.0038 0.015
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0021 0.2391
Loa Loa (eye worm) hypothetical protein 0.003 0.0011 0.0041
Echinococcus granulosus sodium:myo inositol cotransporter 1.0848 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.002 0.008
Loa Loa (eye worm) hypothetical protein 0.2768 0.2539 1
Loa Loa (eye worm) hypothetical protein 0.2768 0.2539 1
Echinococcus multilocularis high affinity choline transporter 1 0.2768 0.2539 0.2539
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0021 1
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.2768 0.2539 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0246 0.0246
Schistosoma mansoni lamin 0.0033 0.0012 0.0012
Echinococcus multilocularis neuropeptide s receptor 0.0561 0.0501 0.0501
Echinococcus multilocularis sodium:glucose cotransporter 2 1.0848 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0119 0.0469
Schistosoma mansoni hypothetical protein 0.0058 0.0036 0.0036
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0023 0.0023
Schistosoma mansoni sodium/solute symporter 0.2768 0.2539 0.2539
Schistosoma mansoni lamin 0.0033 0.0012 0.0012
Onchocerca volvulus Huntingtin homolog 0.0148 0.0119 0.0422
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0246 0.0246
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0023 0.0023
Echinococcus granulosus sodium:glucose cotransporter 2 1.0848 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0752 0.0752
Schistosoma mansoni intermediate filament proteins 0.0033 0.0012 0.0012

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.186 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 12.936 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
IC50 (functional) = 0.362 um PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ] ChEMBL. No reference
IC50 (functional) < 0.38 uM PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
IC50 (functional) = 0.56 uM PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
IC50 (functional) = 49.35 um PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 2.5929 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 7.9433 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) 9.2 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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) 11.6891 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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