Detailed information for compound 1526773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.52 | Formula: C21H26N4O5S
  • H donors: 1 H acceptors: 6 LogP: 2.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1C[C@@H]2N([C@@H]1C[C@H](C2)Oc1ncnc(c1C)Oc1cccnc1C)S(=O)(=O)C1CC1
  • InChi: 1S/C21H26N4O5S/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/h3-4,7,11,14-18,26H,5-6,8-10H2,1-2H3/t14-,15+,17-,18?/m1/s1
  • InChiKey: PFZMZPXWQVAMES-FZBAJKBMSA-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
Echinococcus multilocularis 0.0004 0.5 0.5
Echinococcus granulosus n alpha acetyltransferase 40 NatD catalytic 0.0004 0.5 0.5
Brugia malayi N-terminal acetyltransferase complex ARD1 subunit homolog 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0004 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0.5 0.5
Echinococcus multilocularis N alpha acetyltransferase 11 0.0004 0.5 0.5
Trypanosoma cruzi N-acetyltransferase, putative 0.0004 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0004 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0004 0.5 0.5
Leishmania major histone acetyltransferase-like protein 0.0004 0.5 0.5
Entamoeba histolytica glucosamine 6-phosphate N-acetyltransferase. putative 0.0004 0.5 0.5
Trypanosoma cruzi Elongator-like Protein 3a, putative 0.0004 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0004 0.5 0.5
Echinococcus granulosus n acetyltransferase mak3 0.0004 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Trypanosoma cruzi N-acetyltransferase complex ARD1 subunit, putative 0.0004 0.5 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Trypanosoma brucei N-acetyltransferase, putative 0.0004 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0004 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0004 0.5 0.5
Entamoeba histolytica glucosamine 6-phosphate N-acetyltransferase. putative 0.0004 0.5 0.5
Brugia malayi L-A virus GAG protein N-acetyltransferase 0.0004 0.5 0.5
Echinococcus granulosus N alpha acetyltransferase 60 0.0004 0.5 0.5
Trypanosoma brucei acetyltransferase, putative 0.0004 0.5 0.5
Mycobacterium ulcerans ribosomal-protein-alanine acetyltransferase, RimI 0.0004 0.5 0.5
Loa Loa (eye worm) n-terminal acetyltransferase complex ard1 subunit 0.0004 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0004 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0.5 0.5
Giardia lamblia N-terminal acetyltransferase complex ARD1 subunit, putative 0.0004 0.5 0.5
Leishmania major N-acetyltransferase subunit ARD1, putative 0.0004 0.5 0.5
Echinococcus granulosus Probable glucosamine 6 phosphate 0.0004 0.5 0.5
Schistosoma mansoni N-acetyltransferase 0.0004 0.5 0.5
Plasmodium falciparum N-terminal acetyltransferase A complex catalytic subunit ARD1, putative 0.0004 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0.5 0.5
Trypanosoma brucei Elongator-like Protein 3a 0.0004 0.5 0.5
Trichomonas vaginalis protease synthase and sporulation negative regulatory protein PAI, putative 0.0004 0.5 0.5
Trypanosoma brucei acetyltransferase, putative 0.0004 0.5 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0004 0.5 0.5
Trypanosoma cruzi glucosamine 6-phosphate n-acetyltransferase, putative 0.0004 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.5 0.5
Wolbachia endosymbiont of Brugia malayi acetyltransferase domain-containing protein 0.0004 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0004 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0004 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0004 0.5 0.5
Trypanosoma cruzi glucosamine 6-phosphate n-acetyltransferase, putative 0.0004 0.5 0.5
Schistosoma mansoni n-acetyltransferase mak3 0.0004 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.5 0.5
Echinococcus granulosus elongator complex protein 3 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0004 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0004 0.5 0.5
Trypanosoma cruzi acetyltransferase, putative 0.0004 0.5 0.5
Leishmania major glucose 6-phosphate N-acetyltransferase, putative 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, putative 0.0004 0.5 0.5
Toxoplasma gondii N-acetyltransferase family protein 0.0004 0.5 0.5
Trypanosoma cruzi acetyltransferase, putative 0.0004 0.5 0.5
Echinococcus granulosus N alpha acetyltransferase 11 0.0004 0.5 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0004 0.5 0.5
Mycobacterium ulcerans N-acetylglutamate synthase 0.0004 0.5 0.5
Trypanosoma brucei N-acetyltransferase, putative 0.0004 0.5 0.5
Trichomonas vaginalis spcc825.04C protein, putative 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Schistosoma mansoni n-terminal acetyltransferase complex ard1 subunit 0.0004 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.5 0.5
Trypanosoma cruzi N-acetyltransferase, putative 0.0004 0.5 0.5
Schistosoma mansoni acetyltransferase (gnat) family containing protein 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Trypanosoma brucei N-acetyltransferase subunit ARD1 0.0004 0.5 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Giardia lamblia Hypothetical protein 0.0004 0.5 0.5
Mycobacterium leprae ACETYLTRANSFERASE MSHD 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trypanosoma cruzi Elongator-like Protein 3a, putative 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Leishmania major acetyltransferase-like protein 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Toxoplasma gondii n-acetyltransferase family protein 0.0004 0.5 0.5
Mycobacterium tuberculosis GCN5-related N-acetyltransferase 0.0004 0.5 0.5
Mycobacterium tuberculosis GCN5-related N-acetyltransferase 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0004 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trypanosoma brucei Elongator-like Protein 3b 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trypanosoma brucei acetyltransferase, putative 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase mak3, putative 0.0004 0.5 0.5
Trichomonas vaginalis ribosomal-protein-alanine acetyltransferase, putative 0.0004 0.5 0.5
Echinococcus multilocularis n acetyltransferase mak3 0.0004 0.5 0.5
Echinococcus multilocularis n acetyltransferase mak3 0.0004 0.5 0.5
Echinococcus multilocularis n acetyltransferase 0.0004 0.5 0.5
Echinococcus multilocularis elongator complex protein 3 0.0004 0.5 0.5
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.0004 0.5 0.5
Schistosoma mansoni histone acetyltransferase-related 0.0004 0.5 0.5
Schistosoma mansoni n-acetyltransferase mak3 0.0004 0.5 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0004 0.5 0.5
Leishmania major acetyltransferase, putative 0.0004 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Giardia lamblia Glucosamine 6-phosphate N-acetyltransferase 0.0004 0.5 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0004 0.5 0.5
Loa Loa (eye worm) glucosamine 6-phosphate N-acetyltransferase 0.0004 0.5 0.5
Entamoeba histolytica histone acetyltransferase, putative 0.0004 0.5 0.5
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0004 0.5 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0004 0.5 0.5
Echinococcus granulosus n alpha acetyltransferase 50 NatE catalytic 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0004 0.5 0.5
Onchocerca volvulus 0.0004 0.5 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0004 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0004 0.5 0.5
Mycobacterium ulcerans acetyltransferase 0.0004 0.5 0.5
Echinococcus multilocularis Probable glucosamine 6 phosphate 0.0004 0.5 0.5
Brugia malayi N-terminal acetyltransferase complex ARD1 subunit homolog 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Entamoeba histolytica glucosamine 6-phosphate N-acetyltransferase. putative 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase, putative 0.0004 0.5 0.5
Schistosoma mansoni N-acetyltransferase 0.0004 0.5 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0004 0.5 0.5
Chlamydia trachomatis acetyltransferase 0.0004 0.5 0.5
Mycobacterium ulcerans mycothiol acetyltransferase, MshD 0.0004 0.5 0.5
Trichomonas vaginalis glucosamine 6-phosphate N-acetyltransferase, putative 0.0004 0.5 0.5
Plasmodium vivax N-acetyltransferase, putative 0.0004 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Leishmania major acetyltransferase-like protein 0.0004 0.5 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0004 0.5 0.5
Plasmodium falciparum N-acetyltransferase, putative 0.0004 0.5 0.5
Trypanosoma cruzi Elongator-like Protein 3b, putative 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Mycobacterium leprae possible acetyltransferase 0.0004 0.5 0.5
Mycobacterium leprae probable acetyltransferase 0.0004 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase separation anxiety, putative 0.0004 0.5 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.5 0.5
Brugia malayi Glucosamine 6-phosphate N-acetyltransferase 0.0004 0.5 0.5
Plasmodium falciparum acetyltransferase, GNAT family, putative 0.0004 0.5 0.5
Plasmodium falciparum acetyltransferase, putative 0.0004 0.5 0.5
Plasmodium falciparum N-acetyltransferase, putative 0.0004 0.5 0.5
Schistosoma mansoni n-acetyltransferase mak3 0.0004 0.5 0.5
Echinococcus multilocularis n alpha acetyltransferase 50, NatE catalytic 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.5 0.5
Trichomonas vaginalis ribosomal-protein-alanine acetyltransferase, putative 0.0004 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0004 0.5 0.5
Echinococcus granulosus n acetyltransferase 0.0004 0.5 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0004 0.5 0.5
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.5 0.5
Giardia lamblia hypothetical protein 0.0004 0.5 0.5
Trichomonas vaginalis N-acetyltransferase, putative 0.0004 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.5 0.5
Echinococcus granulosus n acetyltransferase mak3 0.0004 0.5 0.5
Toxoplasma gondii acetyltransferase, GNAT family protein 0.0004 0.5 0.5
Mycobacterium leprae conserved hypothetical protein 0.0004 0.5 0.5
Echinococcus multilocularis n acetyltransferase mak3 0.0004 0.5 0.5
Echinococcus multilocularis n alpha acetyltransferase 40, NatD catalytic 0.0004 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0.5 0.5
Loa Loa (eye worm) acetyltransferase 0.0004 0.5 0.5
Trichomonas vaginalis elongator complex protein, putative 0.0004 0.5 0.5
Trichomonas vaginalis N-terminal acetyltransferase, putative 0.0004 0.5 0.5
Giardia lamblia Glucose 6-phosphate N-acetyltransferase 0.0004 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1150 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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