Detailed information for compound 1468618

Basic information

Technical information
  • TDR Targets ID: 1468618
  • Name: 1-(5-chloro-2-methoxyphenyl)-3-pyridin-3-ylth iourea
  • MW: 293.772 | Formula: C13H12ClN3OS
  • H donors: 1 H acceptors: 1 LogP: 3.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1N=C(Nc1cccnc1)S)Cl
  • InChi: 1S/C13H12ClN3OS/c1-18-12-5-4-9(14)7-11(12)17-13(19)16-10-3-2-6-15-8-10/h2-8H,1H3,(H2,16,17,19)
  • InChiKey: DHFUDAITYRORMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(5-chloro-2-methoxy-phenyl)-3-(3-pyridyl)thiourea
  • 1-(5-chloro-2-methoxyphenyl)-3-(3-pyridyl)thiourea
  • 1-(5-chloro-2-methoxy-phenyl)-3-pyridin-3-yl-thiourea
  • Oprea1_442660
  • MLS000664994
  • N-(5-chloro-2-methoxyphenyl)-N'-3-pyridinylthiourea
  • SMR000294692
  • ZINC02223959
  • STK164831

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) AGC/NDR protein kinase 0.034 0.135 0.1649
Echinococcus multilocularis Rac GTPase activating protein 1 0.0241 0.0886 0.0886
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0306 1
Echinococcus granulosus protein kinase c eta type 0.0241 0.0886 0.0886
Echinococcus granulosus protein kinase c iota type 0.0581 0.2469 0.2469
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0248 0.0921 0.1125
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0291 0.1119 0.1119
Echinococcus multilocularis myotubularin protein 13 0.0241 0.0886 0.0886
Schistosoma mansoni serine/threonine protein kinase 0.0248 0.0921 0.0921
Leishmania major c2 domain protein, putative 0.005 0 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.1627 0.7333 0.8959
Schistosoma mansoni protein kinase C 0.0291 0.1119 0.1119
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0291 0.1119 0.1119
Plasmodium falciparum double C2-like domain-containing protein 0.005 0 0.5
Trypanosoma cruzi C2 domain/Ankyrin repeats (3 copies), putative 0.005 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0631 0.2701 0.2701
Echinococcus multilocularis Protein kinase C, brain isozyme 0.22 1 1
Schistosoma mansoni serine/threonine kinase 0.034 0.135 0.135
Trypanosoma cruzi synaptotagmin, putative 0.005 0 0.5
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.034 0.135 0.1649
Echinococcus granulosus RNA directed DNA polymerase 0.1569 0.7066 0.7066
Schistosoma mansoni atypical protein kinase C 0.0581 0.2469 0.2469
Brugia malayi diacylglycerol kinase 0.0241 0.0886 0.1049
Entamoeba histolytica protein kinase, putative 0.034 0.135 1
Brugia malayi Protein kinase domain containing protein 0.034 0.135 0.1597
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0241 0.0886 0.0886
Brugia malayi diacylglycerol kinase 0.0241 0.0886 0.1049
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.034 0.135 0.135
Echinococcus granulosus protein kinase c epsilon type 0.0631 0.2701 0.2701
Echinococcus multilocularis serine:threonine protein kinase N2 0.034 0.135 0.135
Onchocerca volvulus 0.0241 0.0886 0.7923
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0241 0.0886 0.0886
Plasmodium vivax hypothetical protein, conserved 0.005 0 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0241 0.0886 0.6566
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Brugia malayi protein kinase C II. 0.0631 0.2701 0.3196
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0241 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Loa Loa (eye worm) AGC/PKN protein kinase 0.034 0.135 0.1649
Brugia malayi Protein kinase domain containing protein 0.034 0.135 0.1597
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Plasmodium vivax ferlin, putative 0.005 0 0.5
Brugia malayi Variant SH3 domain containing protein 0.0241 0.0886 0.1049
Entamoeba histolytica protein kinase, putative 0.0057 0.0034 0.0253
Trypanosoma cruzi C2 domain containing protein, putative 0.005 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.22 1 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.034 0.135 0.135
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Brugia malayi Protein kinase c protein 2 0.1867 0.8452 1
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Entamoeba histolytica protein kinase, putative 0.034 0.135 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0306 1
Schistosoma mansoni serine/threonine protein kinase 0.034 0.135 0.135
Echinococcus granulosus Rac GTPase activating protein 1 0.0241 0.0886 0.0886
Trypanosoma brucei rac serine-threonine kinase, putative 0.034 0.135 1
Trypanosoma cruzi Coiled-coil and C2 domain-containing protein 0.005 0 0.5
Trypanosoma cruzi cytoskeleton associated protein, putative 0.005 0 0.5
Brugia malayi Protein kinase domain containing protein 0.034 0.135 0.1597
Brugia malayi Protein kinase domain containing protein 0.0248 0.0921 0.1089
Plasmodium falciparum ferlin, putative 0.005 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0631 0.2701 0.33
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.034 0.135 0.135
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Plasmodium vivax double C2-like domain-containing protein, putative 0.005 0 0.5
Echinococcus granulosus unc 13 munc13 0.0291 0.1119 0.1119
Toxoplasma gondii AGC kinase 0.034 0.135 1
Trypanosoma cruzi synaptotagmin, putative 0.005 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Echinococcus multilocularis serine threonine protein kinase 0.196 0.8881 0.8881
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Echinococcus granulosus protein kinase C gamma type 0.196 0.8881 0.8881
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.034 0.135 0.135
Schistosoma mansoni serine/threonine protein kinase 0.034 0.135 0.135
Schistosoma mansoni serine/threonine protein kinase 0.0241 0.0886 0.0886
Schistosoma mansoni diacylglycerol kinase theta 0.0241 0.0886 0.0886
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0241 0.0886 0.6566
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Brugia malayi Hr1 repeat family protein 0.034 0.135 0.1597
Echinococcus granulosus myotubularin protein 13 0.0241 0.0886 0.0886
Plasmodium falciparum ferlin, putative 0.005 0 0.5
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0333 0.1316 0.9747
Echinococcus multilocularis Diacylglycerol kinase theta 0.0241 0.0886 0.0886
Brugia malayi p70 ribosomal S6 kinase beta 0.034 0.135 0.1597
Schistosoma mansoni serine/threonine protein kinase 0.0248 0.0921 0.0921
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Entamoeba histolytica protein kinase, putative 0.034 0.135 1
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Brugia malayi RhoGAP domain containing protein 0.0241 0.0886 0.1049
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Echinococcus multilocularis protein kinase c iota type 0.0581 0.2469 0.2469
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.034 0.135 0.1649
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.1569 0.7066 0.7066
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0306 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.034 0.135 0.135
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Schistosoma mansoni rac gtpase activating protein 0.0241 0.0886 0.0886
Loa Loa (eye worm) AGC/AKT protein kinase 0.034 0.135 0.1649
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0241 0.0886 0.1083
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0306 1
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Onchocerca volvulus 0.0241 0.0886 0.7923
Brugia malayi RhoGAP domain containing protein 0.0241 0.0886 0.1049
Loa Loa (eye worm) hypothetical protein 0.034 0.135 0.1649
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.1569 0.7066 0.7066
Loa Loa (eye worm) hypothetical protein 0.0291 0.1119 0.1367
Leishmania major c2 domain protein, putative 0.005 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Echinococcus granulosus Diacylglycerol kinase theta 0.0241 0.0886 0.0886
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Trypanosoma cruzi hypothetical protein, conserved 0.005 0 0.5
Schistosoma mansoni unc-13 (munc13) 0.0291 0.1119 0.1119
Trypanosoma cruzi cytoskeleton associated protein, putative 0.005 0 0.5
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.034 0.135 0.135
Entamoeba histolytica diacylglycerol kinase, putative 0.0241 0.0886 0.6566
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Echinococcus granulosus raf serine:threonine protein kinase 0.0241 0.0886 0.0886
Trichomonas vaginalis AGC family protein kinase 0.034 0.135 1
Schistosoma mansoni diacylglycerol kinase theta 0.0241 0.0886 0.0886
Echinococcus granulosus serine:threonine protein kinase N2 0.034 0.135 0.135
Entamoeba histolytica hypothetical protein 0.0241 0.0886 0.6566
Brugia malayi Pleckstrin Homology Domain 0.0241 0.0886 0.1049
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.034 0.135 0.1649
Loa Loa (eye worm) RasGEF domain-containing protein 0.0241 0.0886 0.1083
Schistosoma mansoni unc-13 (munc13) 0.0291 0.1119 0.1119
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0248 0.0921 0.1089
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0248 0.0921 0.0921
Echinococcus multilocularis unc 13 (munc13) 0.0291 0.1119 0.1119
Echinococcus multilocularis protein kinase c epsilon type 0.0631 0.2701 0.2701
Brugia malayi C1-like domain containing protein 0.0248 0.0921 0.1089
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0241 0.0886 0.1083
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.034 0.135 0.135
Brugia malayi RhoGEF domain containing protein 0.0241 0.0886 0.1049
Schistosoma mansoni vav2 0.0241 0.0886 0.0886
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.034 0.135 0.135
Plasmodium vivax ferlin, putative 0.005 0 0.5
Leishmania major phospholipase c-like protein 0.005 0 0.5
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0241 0.0886 0.1083
Schistosoma mansoni protein kinase C mu 0.0241 0.0886 0.0886
Onchocerca volvulus 0.0291 0.1119 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.034 0.135 0.1649
Schistosoma mansoni serine/threonine protein kinase 0.22 1 1
Loa Loa (eye worm) hypothetical protein 0.1569 0.7066 0.8633
Echinococcus granulosus NDR protein kinase 0.034 0.135 0.135
Brugia malayi protein kinase C3,putative 0.0248 0.0921 0.1089
Loa Loa (eye worm) hypothetical protein 0.0241 0.0886 0.1083
Echinococcus multilocularis protein kinase c eta type 0.0241 0.0886 0.0886
Echinococcus multilocularis N chimaerin 0.0241 0.0886 0.0886
Leishmania major hypothetical protein, conserved 0.005 0 0.5
Schistosoma mansoni hypothetical protein 0.0241 0.0886 0.0886
Loa Loa (eye worm) raf kinase 0.0241 0.0886 0.1083
Echinococcus granulosus N chimaerin 0.0241 0.0886 0.0886
Entamoeba histolytica protein kinase, putative 0.034 0.135 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0248 0.0921 0.0921
Schistosoma mansoni serine/threonine protein kinase 0.034 0.135 0.135
Echinococcus multilocularis raf serine:threonine protein kinase 0.0241 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.181 0.8185 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.005 0 0.5
Trypanosoma cruzi cAMP binding protein, putative 0.005 0 0.5
Leishmania major copine i-like protein 0.005 0 0.5
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0248 0.0921 0.1125
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0241 0.0886 0.0886
Schistosoma mansoni protein kinase C mu 0.0248 0.0921 0.0921
Schistosoma mansoni serine/threonine protein kinase 0.034 0.135 0.135
Entamoeba histolytica protein kinase, putative 0.0057 0.0034 0.0253
Brugia malayi Ras association domain family 1 isoform A 0.0241 0.0886 0.1049

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (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) 79.4328 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 (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 89.1251 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

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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