Detailed information for compound 1428976

Basic information

Technical information
  • TDR Targets ID: 1428976
  • Name: 3-[(4-fluorophenyl)methylsulfanyl]-5-[2-[3-me thyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thi azol-4-yl]-4-prop-2-enyl-1,2,4-triazole
  • MW: 480.505 | Formula: C20H16F4N6S2
  • H donors: 0 H acceptors: 4 LogP: 4.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCc2ccc(cc2)F)nnc1c1csc(n1)n1nc(cc1C(F)(F)F)C
  • InChi: 1S/C20H16F4N6S2/c1-3-8-29-17(26-27-19(29)31-10-13-4-6-14(21)7-5-13)15-11-32-18(25-15)30-16(20(22,23)24)9-12(2)28-30/h3-7,9,11H,1,8,10H2,2H3
  • InChiKey: IDFWCOJJUOSFLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-allyl-3-[(4-fluorophenyl)methylsulfanyl]-5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazol-4-yl]-1,2,4-triazole
  • 4-allyl-3-[(4-fluorophenyl)methylthio]-5-[2-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]-4-thiazolyl]-1,2,4-triazole
  • 4-allyl-3-[(4-fluorobenzyl)thio]-5-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazol-4-yl]-1,2,4-triazole
  • 5W-0868
  • 4-allyl-3-[(4-fluorobenzyl)sulfanyl]-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole
  • MLS000541382
  • SMR000126240

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 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
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis neuropeptide receptor A26 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis 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
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Brugia malayi beta-lactamase family protein 0.0042 0.0265 0.1907
Echinococcus granulosus ferritin 0.001 0.0031 0.0049
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0041 0.0066
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0026 0.0042
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3657 0.5897
Echinococcus granulosus GPCR family 2 0.0019 0.0097 0.0156
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0041 0.0066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0041 0.0296
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0265 0.0487
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0288 0.0465
Schistosoma mansoni apoferritin-2 0.001 0.0031 0.0049
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0192 0.139 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0288 0.0258
Brugia malayi Pre-SET motif family protein 0.0192 0.139 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0028 0.0165 0.0266
Giardia lamblia Kinase, PLK 0.0114 0.0809 0.5
Schistosoma mansoni ferritin 0.001 0.0031 0.0049
Schistosoma mansoni inositol monophosphatase 0.0045 0.0288 0.0465
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0041 0.0066
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0026 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0165 0.0266
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0042 0.0067
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0288 0.0427
Schistosoma mansoni hypothetical protein 0.0351 0.2583 0.4165
Echinococcus multilocularis GPCR, family 2 0.0019 0.0097 0.0156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0097 0.0156
Loa Loa (eye worm) hypothetical protein 0.0042 0.0265 0.1907
Schistosoma mansoni inositol monophosphatase 0.0045 0.0288 0.0465
Schistosoma mansoni ferritin light chain 0.001 0.0031 0.0049
Schistosoma mansoni apoferritin-2 0.001 0.0031 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0041 0.0296
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0405 0.2915
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0265 0.0427
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6202 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3657 0.5897
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0809 0.5821
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0097 0.0156
Loa Loa (eye worm) hypothetical protein 0.0042 0.0265 0.1907
Onchocerca volvulus 0.0028 0.0165 0.0799
Onchocerca volvulus Huntingtin homolog 0.0148 0.1063 0.6608
Toxoplasma gondii ABC1 family protein 0.0042 0.0265 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0041 0.0296
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0041 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Brugia malayi ecdysteroid receptor 0.0012 0.0041 0.0296
Brugia malayi beta-lactamase 0.0042 0.0265 0.1907
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0041 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0041 0.0296
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0026 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0041 0.0296
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Schistosoma mansoni hypothetical protein 0.0019 0.0097 0.0156
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0041 0.0066
Loa Loa (eye worm) inositol-1 0.0045 0.0288 0.2074
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0262 0.1888
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0041 0.0066
Schistosoma mansoni coup transcription factor 0.0012 0.0041 0.0066
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0041 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0041 0.0296
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0265 0.1602
Loa Loa (eye worm) hypothetical protein 0.0028 0.0165 0.1185
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Schistosoma mansoni hypothetical protein 0.0351 0.2583 0.4165
Schistosoma mansoni hypothetical protein 0.0019 0.0097 0.0156
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0265 0.0487
Onchocerca volvulus 0.0035 0.0214 0.1117
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0165 0.0266
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0041 0.0066
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6202 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0041 0.0066
Schistosoma mansoni hypothetical protein 0.0041 0.0262 0.0423
Schistosoma mansoni cpg binding protein 0.0037 0.0229 0.0369
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0288 0.1749
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.134 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0041 0.0296
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0041 0.0066
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0809 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0041 0.0296
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0041 0.0296
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0042 0.0301
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.134 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0809 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0214 0.1539
Onchocerca volvulus 0.0218 0.1588 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0265 0.1907
Loa Loa (eye worm) hypothetical protein 0.0042 0.0265 0.1907
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0809 0.4966
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0041 0.0066
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0097 0.0156
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0041 0.0066
Loa Loa (eye worm) hypothetical protein 0.0042 0.0265 0.1907
Brugia malayi Pre-SET motif family protein 0.0028 0.0165 0.1185
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0097 0.0695
Schistosoma mansoni kinase 0.0058 0.0389 0.0626
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0026 0.0042
Echinococcus granulosus geminin 0.0351 0.2583 0.4165
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0041 0.0296
Mycobacterium leprae Probable lipase LipE 0.0042 0.0265 0.0235
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0377 0.2314
Schistosoma mansoni cpg binding protein 0.0035 0.0214 0.0345
Trichomonas vaginalis set domain proteins, putative 0.0218 0.1588 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0265 0.1907
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0165 0.0266
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0041 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0041 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0041 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0041 0.0296
Mycobacterium tuberculosis Conserved protein 0.0042 0.0265 0.0487
Trichomonas vaginalis esterase, putative 0.0042 0.0265 0.1602
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0026 0.0042
Echinococcus multilocularis geminin 0.0351 0.2583 0.4165
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0041 0.0296
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0288 0.0427
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0265 0.0235
Brugia malayi nuclear hormone receptor 0.0012 0.0041 0.0296
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0041 0.0066
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0809 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6202 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0097 0.0695
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0028 0.0165 0.0266
Loa Loa (eye worm) hypothetical protein 0.0148 0.1063 0.7649
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0041 0.0066
Onchocerca volvulus 0.0042 0.0265 0.1448
Schistosoma mansoni ferritin 0.001 0.0031 0.0049
Loa Loa (eye worm) hypothetical protein 0.0148 0.1063 0.7649
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0041 0.0294
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0041 0.0066
Loa Loa (eye worm) hypothetical protein 0.0042 0.0265 0.1907
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0041 0.0296
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.134 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0265 0.1602
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0265 0.1907
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0041 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0041 0.0296
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0809 0.1305
Trypanosoma brucei polo-like protein kinase 0.0114 0.0809 1
Echinococcus multilocularis ferritin 0.001 0.0031 0.0049
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0041 0.0296
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0041 0.0066
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0041 0.0066
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.134 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4141 0.6677
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0028 0.0165 0.0266
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0377 0.2314
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0265 0.0427
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0265 0.0487
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0097 0.0695
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0265 0.1602
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0253 0.0223
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0041 0.0066
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0288 0.1749
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0265 0.0487
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0288 0.0258
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0026 0.0151 0.0244
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0405 0.2915
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0653 0.4848 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1063 0.6608
Loa Loa (eye worm) hypothetical protein 0.0019 0.0097 0.0695
Echinococcus granulosus cpg binding protein 0.0037 0.0229 0.0369
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0265 0.0487
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0265 0.0102
Brugia malayi nuclear receptor NHR-88 0.0012 0.0041 0.0296
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0041 0.0066
Brugia malayi hypothetical protein 0.0148 0.1063 0.7649
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0041 0.0066
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0041 0.0066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0097 0.0156
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0288 0.1749
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0253 0.0462
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0454 0.0294
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0809 0.1305
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4141 0.6677
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0288 0.0427
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0265 0.0235
Brugia malayi Inositol-1 0.0045 0.0288 0.2074
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0041 0.0066
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0265 0.0427
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0041 0.0296
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0265 0.0235
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0288 0.0126
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0288 0.0465
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0809 0.1305
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.1942 0.3968
Echinococcus multilocularis cpg binding protein 0.0037 0.0229 0.0369
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0265 0.1602
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.134 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0809 1
Schistosoma mansoni ferritin 0.001 0.0031 0.0049
Mycobacterium ulcerans beta-lactamase 0.0042 0.0265 0.0235
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0809 0.5057
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.134 1 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.0265 0.0235
Brugia malayi steroid hormone receptor 0.0012 0.0041 0.0296
Onchocerca volvulus 0.0042 0.0265 0.1448
Mycobacterium tuberculosis Conserved protein 0.0042 0.0265 0.0487
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0042 0.0067
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0513 0.0827
Mycobacterium tuberculosis Conserved protein 0.0042 0.0265 0.0487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0041 0.0296
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0041 0.0066
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4141 0.6677
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0041 0.0066
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0041 0.0066
Mycobacterium ulcerans lipase LipD 0.0042 0.0265 0.0235
Schistosoma mansoni hypothetical protein 0.0019 0.0097 0.0156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Schistosoma mansoni ferritin 0.001 0.0031 0.0049
Schistosoma mansoni hypothetical protein 0.0494 0.3657 0.5897
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0041 0.0066
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0265 0.0427
Schistosoma mansoni hypothetical protein 0.0019 0.0097 0.0156
Loa Loa (eye worm) beta-lactamase 0.0042 0.0265 0.1907
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0041 0.0066
Loa Loa (eye worm) hypothetical protein 0.006 0.0405 0.2915
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0405 0.2915
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0041 0.0296
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0028 0.0165 0.0266
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4141 0.6677
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0809 0.5821
Brugia malayi beta-lactamase family protein 0.0042 0.0265 0.1907
Echinococcus granulosus expressed protein 0.001 0.0031 0.0049
Echinococcus multilocularis expressed protein 0.001 0.0031 0.0049
Loa Loa (eye worm) hypothetical protein 0.0041 0.0262 0.1888
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0214 0.1539
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0265 0.0487
Schistosoma mansoni cpg binding protein 0.0037 0.0229 0.0369
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0265 0.0487
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0288 0.0427
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0265 0.1602
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0296
Trichomonas vaginalis ferritin, putative 0.001 0.0031 0.0113
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0041 0.0066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0041 0.0296
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0041 0.0066
Schistosoma mansoni ferritin light chain 0.001 0.0031 0.0049
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0041 0.0066
Onchocerca volvulus 0.0042 0.0265 0.1448

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 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 (binding) = 10 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) = 12.5893 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) = 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 binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 13.1154 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 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 (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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 (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.
 
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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