Detailed information for compound 1526775

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 444.504 | Formula: C21H24N4O5S
  • H donors: 0 H acceptors: 6 LogP: 2.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[C@@H]2N([C@@H]1C[C@H](C2)Oc1ncnc(c1C)Oc1cccnc1C)S(=O)(=O)C1CC1
  • InChi: 1S/C21H24N4O5S/c1-12-20(23-11-24-21(12)30-19-4-3-7-22-13(19)2)29-15-8-14-9-18(26)17(10-15)25(14)31(27,28)16-5-6-16/h3-4,7,11,14-17H,5-6,8-10H2,1-2H3/t14-,15+,17-/m1/s1
  • InChiKey: ZRWVDOFTLFTAOJ-HLLBOEOZSA-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 G protein-coupled receptor 119 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi follicle stimulating hormone receptor G protein-coupled receptor 119 335 aa 274 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Trypanosoma brucei N-acetyltransferase, putative 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Trypanosoma cruzi N-acetyltransferase complex ARD1 subunit, putative 0.0003 0.5 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0003 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0003 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0003 0.5 0.5
Giardia lamblia N-terminal acetyltransferase complex ARD1 subunit, putative 0.0003 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0003 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0003 0.5 0.5
Leishmania major N-acetyltransferase subunit ARD1, putative 0.0003 0.5 0.5
Echinococcus granulosus Probable glucosamine 6 phosphate 0.0003 0.5 0.5
Brugia malayi L-A virus GAG protein N-acetyltransferase 0.0003 0.5 0.5
Echinococcus granulosus N alpha acetyltransferase 60 0.0003 0.5 0.5
Entamoeba histolytica glucosamine 6-phosphate N-acetyltransferase. putative 0.0003 0.5 0.5
Trypanosoma brucei acetyltransferase, putative 0.0003 0.5 0.5
Loa Loa (eye worm) n-terminal acetyltransferase complex ard1 subunit 0.0003 0.5 0.5
Mycobacterium ulcerans ribosomal-protein-alanine acetyltransferase, RimI 0.0003 0.5 0.5
Trypanosoma brucei acetyltransferase, putative 0.0003 0.5 0.5
Plasmodium falciparum N-terminal acetyltransferase A complex catalytic subunit ARD1, putative 0.0003 0.5 0.5
Schistosoma mansoni N-acetyltransferase 0.0003 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0003 0.5 0.5
Trypanosoma brucei Elongator-like Protein 3a 0.0003 0.5 0.5
Trichomonas vaginalis protease synthase and sporulation negative regulatory protein PAI, putative 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Echinococcus multilocularis 0.0003 0.5 0.5
Echinococcus granulosus n alpha acetyltransferase 40 NatD catalytic 0.0003 0.5 0.5
Brugia malayi N-terminal acetyltransferase complex ARD1 subunit homolog 0.0003 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0003 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0003 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0003 0.5 0.5
Trypanosoma cruzi N-acetyltransferase, putative 0.0003 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Echinococcus multilocularis N alpha acetyltransferase 11 0.0003 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0003 0.5 0.5
Echinococcus granulosus n acetyltransferase mak3 0.0003 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0003 0.5 0.5
Leishmania major histone acetyltransferase-like protein 0.0003 0.5 0.5
Entamoeba histolytica glucosamine 6-phosphate N-acetyltransferase. putative 0.0003 0.5 0.5
Trypanosoma cruzi Elongator-like Protein 3a, putative 0.0003 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0003 0.5 0.5
Echinococcus granulosus N alpha acetyltransferase 11 0.0003 0.5 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0003 0.5 0.5
Mycobacterium ulcerans N-acetylglutamate synthase 0.0003 0.5 0.5
Trypanosoma brucei N-acetyltransferase, putative 0.0003 0.5 0.5
Toxoplasma gondii N-acetyltransferase family protein 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, putative 0.0003 0.5 0.5
Trypanosoma cruzi acetyltransferase, putative 0.0003 0.5 0.5
Schistosoma mansoni n-terminal acetyltransferase complex ard1 subunit 0.0003 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.5 0.5
Trichomonas vaginalis spcc825.04C protein, putative 0.0003 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Trypanosoma brucei N-acetyltransferase subunit ARD1 0.0003 0.5 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Schistosoma mansoni acetyltransferase (gnat) family containing protein 0.0003 0.5 0.5
Trypanosoma cruzi N-acetyltransferase, putative 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Trypanosoma cruzi Elongator-like Protein 3a, putative 0.0003 0.5 0.5
Giardia lamblia Hypothetical protein 0.0003 0.5 0.5
Mycobacterium leprae ACETYLTRANSFERASE MSHD 0.0003 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0003 0.5 0.5
Trypanosoma cruzi glucosamine 6-phosphate n-acetyltransferase, putative 0.0003 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Wolbachia endosymbiont of Brugia malayi acetyltransferase domain-containing protein 0.0003 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0003 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0003 0.5 0.5
Trypanosoma cruzi glucosamine 6-phosphate n-acetyltransferase, putative 0.0003 0.5 0.5
Schistosoma mansoni n-acetyltransferase mak3 0.0003 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.5 0.5
Echinococcus granulosus elongator complex protein 3 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0003 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0003 0.5 0.5
Trypanosoma cruzi acetyltransferase, putative 0.0003 0.5 0.5
Leishmania major glucose 6-phosphate N-acetyltransferase, putative 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0003 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0003 0.5 0.5
Echinococcus multilocularis elongator complex protein 3 0.0003 0.5 0.5
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.0003 0.5 0.5
Echinococcus multilocularis n acetyltransferase mak3 0.0003 0.5 0.5
Echinococcus multilocularis n acetyltransferase mak3 0.0003 0.5 0.5
Echinococcus multilocularis n acetyltransferase 0.0003 0.5 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0003 0.5 0.5
Leishmania major acetyltransferase, putative 0.0003 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Schistosoma mansoni histone acetyltransferase-related 0.0003 0.5 0.5
Schistosoma mansoni n-acetyltransferase mak3 0.0003 0.5 0.5
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0003 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0003 0.5 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0003 0.5 0.5
Giardia lamblia Glucosamine 6-phosphate N-acetyltransferase 0.0003 0.5 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0003 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Loa Loa (eye worm) glucosamine 6-phosphate N-acetyltransferase 0.0003 0.5 0.5
Entamoeba histolytica histone acetyltransferase, putative 0.0003 0.5 0.5
Echinococcus multilocularis Probable glucosamine 6 phosphate 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Echinococcus granulosus n alpha acetyltransferase 50 NatE catalytic 0.0003 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0003 0.5 0.5
Onchocerca volvulus 0.0003 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0003 0.5 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0003 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Leishmania major acetyltransferase-like protein 0.0003 0.5 0.5
Mycobacterium tuberculosis GCN5-related N-acetyltransferase 0.0003 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Toxoplasma gondii n-acetyltransferase family protein 0.0003 0.5 0.5
Mycobacterium tuberculosis GCN5-related N-acetyltransferase 0.0003 0.5 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0003 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Trypanosoma brucei acetyltransferase, putative 0.0003 0.5 0.5
Trichomonas vaginalis ribosomal-protein-alanine acetyltransferase, putative 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase mak3, putative 0.0003 0.5 0.5
Trypanosoma brucei Elongator-like Protein 3b 0.0003 0.5 0.5
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0003 0.5 0.5
Brugia malayi Glucosamine 6-phosphate N-acetyltransferase 0.0003 0.5 0.5
Plasmodium falciparum acetyltransferase, putative 0.0003 0.5 0.5
Plasmodium falciparum acetyltransferase, GNAT family, putative 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0003 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Echinococcus multilocularis n alpha acetyltransferase 50, NatE catalytic 0.0003 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Trichomonas vaginalis ribosomal-protein-alanine acetyltransferase, putative 0.0003 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0003 0.5 0.5
Plasmodium falciparum N-acetyltransferase, putative 0.0003 0.5 0.5
Schistosoma mansoni n-acetyltransferase mak3 0.0003 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Echinococcus granulosus n acetyltransferase mak3 0.0003 0.5 0.5
Echinococcus multilocularis n acetyltransferase mak3 0.0003 0.5 0.5
Mycobacterium leprae conserved hypothetical protein 0.0003 0.5 0.5
Echinococcus granulosus n acetyltransferase 0.0003 0.5 0.5
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0003 0.5 0.5
Giardia lamblia hypothetical protein 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase, putative 0.0003 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0003 0.5 0.5
Trichomonas vaginalis elongator complex protein, putative 0.0003 0.5 0.5
Giardia lamblia Glucose 6-phosphate N-acetyltransferase 0.0003 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0003 0.5 0.5
Echinococcus multilocularis n alpha acetyltransferase 40, NatD catalytic 0.0003 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0003 0.5 0.5
Entamoeba histolytica glucosamine 6-phosphate N-acetyltransferase. putative 0.0003 0.5 0.5
Trichomonas vaginalis N-acetyltransferase, putative 0.0003 0.5 0.5
Schistosoma mansoni N-acetyltransferase 0.0003 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0003 0.5 0.5
Brugia malayi N-terminal acetyltransferase complex ARD1 subunit homolog 0.0003 0.5 0.5
Trichomonas vaginalis glucosamine 6-phosphate N-acetyltransferase, putative 0.0003 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0003 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0003 0.5 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0003 0.5 0.5
Chlamydia trachomatis acetyltransferase 0.0003 0.5 0.5
Mycobacterium ulcerans mycothiol acetyltransferase, MshD 0.0003 0.5 0.5
Leishmania major acetyltransferase-like protein 0.0003 0.5 0.5
Plasmodium falciparum N-acetyltransferase, putative 0.0003 0.5 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0003 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0003 0.5 0.5
Mycobacterium leprae possible acetyltransferase 0.0003 0.5 0.5
Mycobacterium leprae probable acetyltransferase 0.0003 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0003 0.5 0.5
Trypanosoma cruzi Elongator-like Protein 3b, putative 0.0003 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 918 nM Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cMAP level by cell-based cAMP assay ChEMBL. 21536438

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

1 literature reference was collected for this gene.

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