Detailed information for compound 1357243

Basic information

Technical information
  • TDR Targets ID: 1357243
  • Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-phe nyl-1,3,5-triazine-2,4-diamine
  • MW: 366.463 | Formula: C17H14N6S2
  • H donors: 2 H acceptors: 4 LogP: 4.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(CSc2nc3c(s2)cccc3)nc(n1)Nc1ccccc1
  • InChi: 1S/C17H14N6S2/c18-15-21-14(22-16(23-15)19-11-6-2-1-3-7-11)10-24-17-20-12-8-4-5-9-13(12)25-17/h1-9H,10H2,(H3,18,19,21,22,23)
  • InChiKey: VZNUWLVEEAJGDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(1,3-benzothiazol-2-ylthio)methyl]-N-phenyl-1,3,5-triazine-2,4-diamine
  • [4-amino-6-[(1,3-benzothiazol-2-ylthio)methyl]-s-triazin-2-yl]-phenyl-amine
  • TimTec1_005627
  • 6-(Benzothiazol-2-ylsulfanylmethyl)-N-phenyl-[1,3,5]triazine-2,4-diamine
  • MLS000330982
  • SMR000221057
  • Oprea1_314752
  • Oprea1_503625
  • ZINC01059931
  • A1756/0074537

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Brugia malayi 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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
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 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0403 0.0403
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0403 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0403 0.4943
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1408 0.1408
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0013 0.0168 0.2059
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0816 1
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0168 0.2059
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0403 0.4943
Brugia malayi hypothetical protein 0.0012 0.014 0.1713
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0816 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0403 0.0403
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0013 0.0168 0.0168
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0012 0.014 0.1713
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0816 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Brugia malayi orphan nuclear receptor NR2E1 0.0012 0.014 0.1713
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0816 0.6542
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0403 0.4943
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0403 0.0403
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Loa Loa (eye worm) nuclear hormone receptor 0.0012 0.014 0.1713
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0403 0.0403
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0403 0.0403
Schistosoma mansoni nuclear receptor 0.0012 0.014 0.014
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0012 0.014 0.2279
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0816 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0081 0.0081
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0403 0.0403
Giardia lamblia Hypothetical protein 0.0005 0 0.5
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0403 0.4943
Brugia malayi nuclear receptor RXR 0.0012 0.014 0.1713
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0403 0.4943
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0403 0.4943
Chlamydia trachomatis 3'(2'),5'-bisphosphate nucleotidase CysQ 0.0005 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.014 0.014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0403 0.4943
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0816 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.3012 0.3012
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0403 0.6577
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0403 0.0403
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.014 0.014
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0403 0.4943
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0403 0.4943
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Onchocerca volvulus 0.0035 0.0613 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0403 0.0403
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0013 0.0168 0.0168
Brugia malayi nuclear hormone receptor 0.0012 0.014 0.1713
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0403 0.6577
Loa Loa (eye worm) nuclear receptor NHR-67 0.0012 0.014 0.1713
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0403 0.4943
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0012 0.014 0.014
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0403 0.4943
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0403 0.4943
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0012 0.014 0.2279
Schistosoma mansoni nuclear hormone receptor 0.0012 0.014 0.014
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Brugia malayi Nuclear hormone receptor E75 0.0012 0.014 0.1713
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Echinococcus granulosus nuclear receptor nhr 48 0.0012 0.014 0.014
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0012 0.014 0.014
Onchocerca volvulus 0.0012 0.014 0.2279
Echinococcus granulosus cpg binding protein 0.0037 0.0654 0.0654
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0403 0.0403
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.3012 0.3012
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0403 0.0403
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1247 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0403 0.0403
Echinococcus multilocularis thyroid hormone receptor alpha 0.0176 0.3511 0.3511
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0403 0.0403
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0403 0.4943
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0403 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0403 0.4943
Brugia malayi steroid hormone receptor 0.0024 0.0403 0.4943
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0403 0.0403
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0403 0.0403
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0403 0.0403
Brugia malayi ecdysteroid receptor 0.0024 0.0403 0.4943
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0403 0.4943
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0403 0.4943
Schistosoma mansoni thyroid hormone receptor 0.0176 0.3511 0.3511
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0012 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0403 0.0403
Brugia malayi tailless protein 0.0012 0.014 0.1713
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0816 0.0816
Echinococcus granulosus thyroid hormone receptor alpha 0.0012 0.014 0.014
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0121 0.1482
Brugia malayi Nuclear hormone receptor E75 0.0012 0.014 0.1713
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0124 0.1517
Brugia malayi nuclear receptor NHR-88 0.0024 0.0403 0.4943
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0403 0.0403
Onchocerca volvulus 0.0024 0.0403 0.6577
Loa Loa (eye worm) hypothetical protein 0.0024 0.0403 0.4943
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.014 0.014
Echinococcus multilocularis nuclear receptor nhr 48 0.0012 0.014 0.014
Schistosoma mansoni nuclear receptor nhr-48 0.0012 0.014 0.014
Onchocerca volvulus 0.0012 0.014 0.2279
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.014 0.014
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0721 1
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0168 0.2059
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0006 0.0006
Brugia malayi CXXC zinc finger family protein 0.0035 0.0613 0.7515
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0816 0.0816
Schistosoma mansoni thyroid hormone receptor 0.0176 0.3511 0.3511
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.014 0.014
Brugia malayi nuclear receptor NHR-67 0.0012 0.014 0.1713
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 0.0797
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0403 0.0403
Brugia malayi Inositol-1 0.0045 0.0816 1
Brugia malayi nuclear hormone receptor 0.0024 0.0403 0.4943
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0012 0.014 0.014
Brugia malayi conserved hypotetical protein 0.0012 0.014 0.1713
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Echinococcus multilocularis cpg binding protein 0.0037 0.0654 0.0654
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0403 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0403 0.4943
Brugia malayi hypothetical protein 0.0013 0.0168 0.2059
Brugia malayi hypothetical protein 0.0012 0.014 0.1713
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0816 1
Schistosoma mansoni zinc finger protein 0.0012 0.014 0.014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0403 0.4943
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0403 0.0403
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 0.0797
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0403 0.4943
Schistosoma mansoni hypothetical protein 0.0152 0.3012 0.3012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0403 0.4943
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0012 0.014 0.014
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Brugia malayi nuclear receptor NHR-88 0.0012 0.014 0.1713
Loa Loa (eye worm) inositol-1 0.0045 0.0816 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0721 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0403 0.6577
Brugia malayi ecdysone receptor 0.0012 0.014 0.1713
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0403 0.4943
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.0168 0.0168
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0613 0.7515
Schistosoma mansoni inositol monophosphatase 0.0045 0.0816 0.0816
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0013 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0013 0.0168 0.2059
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0403 0.0403
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0013 0.0168 0.2059
Loa Loa (eye worm) DR-78 0.0012 0.014 0.1713
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Brugia malayi nuclear hormone receptor family member odr-7 0.0012 0.014 0.1713
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Schistosoma mansoni coup transcription factor 0.0024 0.0403 0.0403
Brugia malayi hypothetical protein 0.0013 0.0168 0.2059
Loa Loa (eye worm) hypothetical protein 0.0013 0.0168 0.2059
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Schistosoma mansoni inositol monophosphatase 0.0045 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0012 0.014 0.1713
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0403 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0403 0.4943
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0013 0.0168 0.2059
Loa Loa (eye worm) hypothetical protein 0.0013 0.0168 0.2059
Loa Loa (eye worm) hypothetical protein 0.0012 0.014 0.1713
Schistosoma mansoni nuclear receptor 0.0012 0.014 0.014
Trichomonas vaginalis helicase, putative 0.0008 0.0065 0.0797
Brugia malayi nuclear receptor RXR 0.0013 0.0168 0.2059
Schistosoma mansoni cpg binding protein 0.0035 0.0613 0.0613
Brugia malayi nuclear hormone receptor family member nhr-6 0.0012 0.014 0.1713
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0403 0.4943
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0403 0.4943
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0403 0.0403
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.7943 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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