Detailed information for compound 1266825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.993 | Formula: C22H28ClN3O5S
  • H donors: 1 H acceptors: 3 LogP: 2.53 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N(S(=O)(=O)c1ccc(c(c1)C(=O)NCCCN1CCOCC1)Cl)C
  • InChi: 1S/C22H28ClN3O5S/c1-25(20-6-3-4-7-21(20)30-2)32(28,29)17-8-9-19(23)18(16-17)22(27)24-10-5-11-26-12-14-31-15-13-26/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)
  • InChiKey: PSSIRJPJZREOFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus carboxylesterase 5A 0.0069 0.377 0.3877
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.2731 0.7142
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.1553 0.848
Schistosoma mansoni gliotactin 0.0012 0.039 0.0382
Brugia malayi CXXC zinc finger family protein 0.0035 0.1743 0.1736
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Loa Loa (eye worm) XPG I-region family protein 0.0006 0.0079 0.007
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.021 0.0201
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.1553 0.848
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 1 1
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0006 0.0079 0.007
Brugia malayi Trypsin-like protease protein 5 0.003 0.1472 0.1465
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Echinococcus multilocularis carboxylesterase 5A 0.0069 0.377 0.3765
Loa Loa (eye worm) carboxylesterase 0.0012 0.039 0.0382
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.003 0.1472 0.1508
Echinococcus granulosus para nitrobenzyl esterase 0.0012 0.039 0.0393
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1743 0.1736
Loa Loa (eye worm) hypothetical protein 0.0006 0.0079 0.007
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.039 0.0382
Plasmodium vivax DNA repair protein RAD2, putative 0.0006 0.0079 0.029
Onchocerca volvulus 0.003 0.1472 0.8092
Echinococcus granulosus Mastin 0.003 0.1472 0.1508
Loa Loa (eye worm) hypothetical protein 0.0006 0.0072 0.0063
Echinococcus granulosus acetylcholinesterase 0.0069 0.377 0.3877
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.021 0.0207
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.2479 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.2731 0.7142
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.021 0.0201
Schistosoma mansoni cpg binding protein 0.0035 0.1743 0.1736
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Echinococcus multilocularis exonuclease 1 0.0006 0.0079 0.007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0079 0.007
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.1553 0.6252
Brugia malayi Carboxylesterase family protein 0.0012 0.039 0.0382
Echinococcus multilocularis para nitrobenzyl esterase 0.0012 0.039 0.0382
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.377 0.3765
Echinococcus granulosus exonuclease 1 0.0006 0.0079 0.0072
Brugia malayi Carboxylesterase family protein 0.0012 0.039 0.0382
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2731 1
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0165 0.0325
Brugia malayi Carboxylesterase family protein 0.0069 0.377 0.3765
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Plasmodium falciparum flap endonuclease 1 0.0031 0.1553 0.6142
Brugia malayi Kringle domain containing protein 0.0036 0.1817 0.181
Schistosoma mansoni exonuclease 0.0006 0.0079 0.007
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.003 0.1472 0.1465
Echinococcus multilocularis transmembrane protease serine 3 0.003 0.1472 0.1465
Toxoplasma gondii kringle domain-containing protein 0.0036 0.1817 0.4745
Echinococcus granulosus glycoprotein Antigen 5 0.003 0.1472 0.1508
Onchocerca volvulus 0.003 0.1472 0.8092
Brugia malayi Trypsin family protein 0.003 0.1472 0.1465
Onchocerca volvulus 0.0036 0.1817 1
Echinococcus granulosus transmembrane protease serine 3 0.003 0.1472 0.1508
Loa Loa (eye worm) TK/ROR protein kinase 0.0036 0.1817 0.181
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9711 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.377 0.3765
Echinococcus multilocularis flap endonuclease GEN 1 0.0006 0.0079 0.007
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Giardia lamblia Exonuclease 1 0.0006 0.0079 0.0284
Brugia malayi Flap endonuclease-1 0.0031 0.1553 0.1546
Brugia malayi Carboxylesterase family protein 0.0069 0.377 0.3765
Brugia malayi Trypsin family protein 0.003 0.1472 0.1465
Echinococcus granulosus cpg binding protein 0.0037 0.186 0.1908
Brugia malayi Carboxylesterase family protein 0.0012 0.039 0.0382
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0012 0.039 0.0382
Brugia malayi hypothetical protein 0.0012 0.039 0.0382
Plasmodium vivax exonuclease I, putative 0.0006 0.0079 0.029
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0012 0.039 0.1174
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0165 0.0325
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0012 0.039 0.5
Echinococcus granulosus neuroligin 0.0012 0.039 0.0393
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Echinococcus granulosus enteropeptidase 0.003 0.1472 0.1508
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0165 0.0325
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0006 0.0072 0.0063
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.003 0.1472 0.1465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0165 0.0325
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.021 0.0201
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Onchocerca volvulus 0.003 0.1472 0.8092
Brugia malayi Protein kinase domain containing protein 0.0036 0.1817 0.181
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.039 0.0382
Plasmodium falciparum cysteine repeat modular protein 1 0.0036 0.1817 0.7244
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.003 0.1472 0.1508
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.1553 0.4051
Echinococcus granulosus zinc finger protein 0.0006 0.0072 0.0065
Trichomonas vaginalis helicase, putative 0.0008 0.0165 0.0325
Echinococcus granulosus flap endonuclease 1 0.0031 0.1553 0.1592
Brugia malayi Carboxylesterase family protein 0.0012 0.039 0.0382
Echinococcus multilocularis glycoprotein Antigen 5 0.003 0.1472 0.1465
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Brugia malayi PHD-finger family protein 0.0006 0.0072 0.0063
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.003 0.1472 0.1465
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0326 0.0318
Echinococcus granulosus acetylcholinesterase 0.0069 0.377 0.3877
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.2479 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2731 0.2806
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0334 0.0335
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.2731 1
Brugia malayi XPG I-region family protein 0.0006 0.0079 0.007
Schistosoma mansoni acetylcholinesterase 0.0012 0.039 0.0382
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0079 0.0184
Loa Loa (eye worm) trypsin family protein 0.003 0.1472 0.1465
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.3821 1
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0006 0.0079 0.0072
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.1553 0.5687
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0079 0.0184
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.1553 0.1546
Schistosoma mansoni neuroligin 3 (S09 family) 0.0012 0.039 0.0382
Echinococcus multilocularis acetylcholinesterase 0.0069 0.377 0.3765
Echinococcus multilocularis zinc finger protein 0.0006 0.0072 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Onchocerca volvulus 0.003 0.1472 0.8092
Schistosoma mansoni hypothetical protein 0.003 0.1472 0.1465
Brugia malayi Trypsin family protein 0.003 0.1472 0.1465
Schistosoma mansoni cpg binding protein 0.0037 0.186 0.1852
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0079 0.0184
Trichomonas vaginalis spcc417.12 protein, putative 0.0012 0.039 0.1174
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0334 0.0326
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0079 0.0184
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Giardia lamblia hypothetical protein 0.0006 0.0079 0.0284
Loa Loa (eye worm) acetylcholinesterase 1 0.0069 0.377 0.3765
Schistosoma mansoni hypothetical protein 0.0036 0.1817 0.181
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Echinococcus granulosus tissue type plasminogen activator 0.0036 0.1817 0.1864
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0334 0.0326
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0006 0.0079 0.007
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0036 0.1817 0.6655
Loa Loa (eye worm) carboxylesterase 0.0069 0.377 0.3765
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.4031 0.4025
Loa Loa (eye worm) hypothetical protein 0.0006 0.0072 0.0063
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Schistosoma mansoni cpg binding protein 0.0037 0.186 0.1852
Loa Loa (eye worm) carboxylesterase 0.0012 0.039 0.0382
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0012 0.039 0.0393
Echinococcus multilocularis neuroligin 0.0012 0.039 0.0382
Echinococcus multilocularis BC026374 protein (S09 family) 0.0012 0.039 0.0382
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.1553 0.5558
Schistosoma mansoni hypothetical protein 0.003 0.1472 0.1465
Onchocerca volvulus 0.003 0.1472 0.8092
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.1553 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0165 0.0325
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.021 0.0207
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0165 0.0325
Echinococcus multilocularis acetylcholinesterase 0.0069 0.377 0.3765
Schistosoma mansoni bromodomain containing protein 0.0006 0.0072 0.0063
Loa Loa (eye worm) hypothetical protein 0.0036 0.1817 0.181
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.039 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Onchocerca volvulus 0.003 0.1472 0.8092
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Onchocerca volvulus 0.0012 0.039 0.2109
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 1 1
Mycobacterium ulcerans hypothetical protein 0.003 0.1472 1
Entamoeba histolytica Flap nuclease, putative 0.0031 0.1553 0.6142
Brugia malayi Trypsin family protein 0.003 0.1472 0.1465
Echinococcus multilocularis Mastin 0.003 0.1472 0.1465
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Brugia malayi hypothetical protein 0.003 0.1472 0.1465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0165 0.0325
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.2479 1
Echinococcus multilocularis enteropeptidase 0.003 0.1472 0.1465
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1817 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Brugia malayi Bromodomain containing protein 0.0006 0.0072 0.0063
Echinococcus granulosus BC026374 protein S09 family 0.0012 0.039 0.0393
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0165 0.0325
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Schistosoma mansoni bromodomain containing protein 0.0006 0.0072 0.0063
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Echinococcus multilocularis flap endonuclease 1 0.0031 0.1553 0.1546
Mycobacterium tuberculosis Carboxylesterase LipT 0.0012 0.039 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Onchocerca volvulus 0.0012 0.039 0.2109
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0006 0.0072 0.0065
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2731 1
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Onchocerca volvulus 0.0012 0.039 0.2109
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0165 0.0325
Leishmania major hypothetical protein, conserved 0.0036 0.1817 1
Echinococcus multilocularis cpg binding protein 0.0037 0.186 0.1852
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0012 0.039 0.5
Onchocerca volvulus 0.0012 0.039 0.2109
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family member 0.0006 0.0079 0.007
Schistosoma mansoni BC026374 protein (S09 family) 0.0012 0.039 0.0382
Schistosoma mansoni cercarial elastase (S01 family) 0.003 0.1472 0.1465
Schistosoma mansoni zinc finger protein 0.0006 0.0072 0.0063
Onchocerca volvulus 0.0035 0.1743 0.959
Loa Loa (eye worm) hypothetical protein 0.003 0.1472 0.1465
Schistosoma mansoni flap endonuclease-1 0.0028 0.1375 0.1368
Onchocerca volvulus 0.0012 0.039 0.2109
Loa Loa (eye worm) hypothetical protein 0.0069 0.377 0.3765
Echinococcus multilocularis tissue type plasminogen activator 0.0036 0.1817 0.181
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.003 0.1472 0.1465
Loa Loa (eye worm) hypothetical protein 0.0012 0.039 0.0382
Loa Loa (eye worm) acetyltransferase 0.0175 1 1
Echinococcus granulosus flap endonuclease GEN 1 0.0006 0.0079 0.0072

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 0.3981 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 14.1254 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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