Detailed information for compound 1727252

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.447 | Formula: C20H18N4O3S
  • H donors: 2 H acceptors: 4 LogP: 3.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)Nc1nc(nc2c1ncs2)c1cccc(c1)CO
  • InChi: 1S/C20H18N4O3S/c1-26-15-7-6-14(9-16(15)27-2)22-19-17-20(28-11-21-17)24-18(23-19)13-5-3-4-12(8-13)10-25/h3-9,11,25H,10H2,1-2H3,(H,22,23,24)
  • InChiKey: LCCJDQFHDRNMOQ-UHFFFAOYSA-N  

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 lysyl-tRNA synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126972 All targets in OG5_126972
Trypanosoma congolense lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) Get druggable targets OG5_126972 All targets in OG5_126972
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126972 All targets in OG5_126972
Echinococcus multilocularis lysyl tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Theileria parva lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Leishmania major lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Giardia lamblia Lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Trichomonas vaginalis lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Trypanosoma brucei gambiense lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Trypanosoma brucei lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Schistosoma mansoni lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Mycobacterium ulcerans lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Candida albicans lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) Get druggable targets OG5_126972 All targets in OG5_126972
Candida albicans lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Cryptosporidium hominis Kars protein Get druggable targets OG5_126972 All targets in OG5_126972
Echinococcus granulosus lysyl tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Babesia bovis lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Leishmania infantum lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Plasmodium falciparum lysine--tRNA ligase Get druggable targets OG5_126972 All targets in OG5_126972
Schistosoma mansoni lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX Get druggable targets OG5_126972 All targets in OG5_126972
Schistosoma japonicum ko:K04567 lysyl-tRNA synthetase, class II, putative Get druggable targets OG5_126972 All targets in OG5_126972
Plasmodium knowlesi lysine--tRNA ligase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Brugia malayi lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Trypanosoma cruzi lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Cryptosporidium parvum lysyl-tRNA synthetase (NOB+tRNA synthetase) Get druggable targets OG5_126972 All targets in OG5_126972
Trichomonas vaginalis lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Mycobacterium ulcerans lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Leishmania braziliensis lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Leishmania donovani lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Neospora caninum lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Leishmania mexicana lysyl-tRNA synthetase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Plasmodium yoelii lysyl-tRNA synthetase Get druggable targets OG5_126972 All targets in OG5_126972
Plasmodium berghei lysine--tRNA ligase, putative Get druggable targets OG5_126972 All targets in OG5_126972
Toxoplasma gondii lysine-tRNA ligase Get druggable targets OG5_126972 All targets in OG5_126972
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX Get druggable targets OG5_126972 All targets in OG5_126972
Chlamydia trachomatis lysine--tRNA ligase Get druggable targets OG5_126972 All targets in OG5_126972
Plasmodium vivax lysine--tRNA ligase, putative Get druggable targets OG5_126972 All targets in OG5_126972

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0028 0.0223 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0039 0.0783 0.0686
Onchocerca volvulus 0.0026 0.0105 0.5
Treponema pallidum cyclic nucleotide binding protein 0.0026 0.0105 0.5
Brugia malayi Cyclic-nucleotide gated cation channel 0.0039 0.0783 0.0758
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0057 0.173 0.1816
Toxoplasma gondii lysine-tRNA ligase 0.0028 0.0223 1
Brugia malayi lysyl-tRNA synthetase 0.0028 0.0223 0.0132
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0183 0.8375 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0039 0.0783 0.0758
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0026 0.0105 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0039 0.0783 0.0758
Echinococcus granulosus voltage gated potassium channel 0.0057 0.173 0.1816
Plasmodium vivax lysine--tRNA ligase, putative 0.0028 0.0223 1
Plasmodium falciparum lysine--tRNA ligase 0.0028 0.0223 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.0223 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0026 0.0105 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0039 0.0783 0.0686
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0039 0.0783 0.0686
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0026 0.0105 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0057 0.173 0.1816
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0026 0.0105 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0028 0.0223 0.0132
Mycobacterium leprae Conserved hypothetical protein 0.0026 0.0105 0.4688
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0028 0.0223 1
Schistosoma mansoni voltage-gated potassium channel 0.0057 0.173 0.1643
Leishmania major lysyl-tRNA synthetase, putative 0.0028 0.0223 1
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0026 0.0105 0.0077
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0026 0.0105 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.0223 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0039 0.0783 0.0758
Entamoeba histolytica hypothetical protein 0.0028 0.0223 0.5
Treponema pallidum catabolite gene activator (Crp) 0.0026 0.0105 0.5
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0039 0.0783 0.0758
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0196 0.9053 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0026 0.0105 0.0077
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0026 0.0105 0.0077
Schistosoma mansoni voltage-gated potassium channel 0.0057 0.173 0.1643
Treponema pallidum cyclic nucleotide binding protein 0.0026 0.0105 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0783 0.0686
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0026 0.0105 0.0077
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0105 0.0077
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0039 0.0783 0.0758
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0039 0.0783 0.0758
Echinococcus multilocularis hyperpolarization activated cyclic 0.0039 0.0783 0.0758
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0026 0.0105 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0196 0.9053 1
Treponema pallidum catabolite gene activator 0.0026 0.0105 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0039 0.0783 0.0686
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0028 0.0223 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0039 0.0783 0.0758
Loa Loa (eye worm) hypothetical protein 0.017 0.7691 0.8478
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0369 0.0267
Loa Loa (eye worm) hypothetical protein 0.0039 0.0783 0.0758
Echinococcus granulosus hyperpolarization activated cyclic 0.0039 0.0783 0.0758
Mycobacterium tuberculosis Conserved hypothetical protein 0.0026 0.0105 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0783 0.0891
Echinococcus granulosus lysyl tRNA synthetase 0.0028 0.0223 0.0132
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.0223 0.012
Onchocerca volvulus 0.0026 0.0105 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0057 0.173 0.1816
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0028 0.0223 0.0219
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0783 0.0891
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0039 0.0783 0.0758
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0039 0.0783 0.0758
Echinococcus multilocularis hyperpolarization activated cyclic 0.0039 0.0783 0.0758
Echinococcus multilocularis voltage gated potassium channel 0.0057 0.173 0.1816
Loa Loa (eye worm) hypothetical protein 0.0057 0.173 0.1816
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0039 0.0783 0.0686
Chlamydia trachomatis lysine--tRNA ligase 0.0028 0.0223 1
Mycobacterium tuberculosis Conserved protein 0.0026 0.0105 1
Giardia lamblia Lysyl-tRNA synthetase 0.0028 0.0223 1
Schistosoma mansoni 60S ribosomal protein L21 0.0031 0.0369 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0223 0.0132
Echinococcus granulosus hyperpolarization activated cyclic 0.0039 0.0783 0.0758
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0183 0.8375 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0196 0.9053 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0196 0.9053 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.0223 0.012

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.079 uM Inhibition of human Gst-tagged Syk expressed in sf9 cells ChEMBL. 24900557

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.