Detailed information for compound 1671163

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.499 | Formula: C24H23N9O
  • H donors: 3 H acceptors: 6 LogP: 1.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)Nc1cc(Nc2cnccn2)nc(c1)c1ccnc(c1)N1CCNCC1
  • InChi: 1S/C24H23N9O/c34-24(18-2-1-4-26-15-18)30-19-13-20(31-21(14-19)32-22-16-27-6-7-28-22)17-3-5-29-23(12-17)33-10-8-25-9-11-33/h1-7,12-16,25H,8-11H2,(H2,28,30,31,32,34)
  • InChiKey: NKYGAVAJVSKKLK-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
Schistosoma mansoni 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 ulcerans lysyl-tRNA synthetase 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
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
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
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 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
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
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
Trypanosoma brucei gambiense lysyl-tRNA synthetase, putative 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
Leishmania mexicana lysyl-tRNA synthetase, putative 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
Plasmodium yoelii lysyl-tRNA synthetase 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
Leishmania braziliensis 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 donovani lysyl-tRNA synthetase, putative 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
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 falciparum lysine--tRNA ligase 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
Schistosoma mansoni lysyl-tRNA synthetase 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
Cryptosporidium parvum lysyl-tRNA synthetase (NOB+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
Mycobacterium ulcerans 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
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

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
Loa Loa (eye worm) TAR-binding protein 0.0068 0.3698 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.1029 0.0738
Plasmodium falciparum lysine--tRNA ligase 0.0028 0.1029 0.3212
Loa Loa (eye worm) RNA binding protein 0.0068 0.3698 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.1029 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3698 0.3494
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.254 0.658
Plasmodium falciparum glutathione reductase 0.0051 0.254 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.254 0.5663
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.254 0.2985
Treponema pallidum NADH oxidase 0.0018 0.0313 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.7773 1
Leishmania major trypanothione reductase 0.0051 0.254 1
Echinococcus multilocularis tar DNA binding protein 0.0068 0.3698 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0028 0.1029 0.0407
Chlamydia trachomatis lysine--tRNA ligase 0.0028 0.1029 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.6906 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.254 1
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.3698 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Mycobacterium tuberculosis Probable reductase 0.0115 0.6906 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.7773 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.7773 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0028 0.1029 0.0738
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3698 0.3494
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.6906 0.8837
Brugia malayi glutathione reductase 0.0051 0.254 0.687
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0028 0.1029 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0795 0.6732
Plasmodium falciparum thioredoxin reductase 0.0051 0.254 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0028 0.1029 1
Echinococcus granulosus tar DNA binding protein 0.0068 0.3698 1
Leishmania major lysyl-tRNA synthetase, putative 0.0028 0.1029 0.3212
Echinococcus multilocularis lysyl tRNA synthetase 0.0028 0.1029 0.2114
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.6906 0.8837
Trypanosoma brucei trypanothione reductase 0.0051 0.254 1
Brugia malayi RNA binding protein 0.0068 0.3698 1
Brugia malayi TAR-binding protein 0.0068 0.3698 1
Toxoplasma gondii lysine-tRNA ligase 0.0028 0.1029 0.3212
Plasmodium vivax lysine--tRNA ligase, putative 0.0028 0.1029 0.3212
Entamoeba histolytica hypothetical protein 0.0028 0.1029 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0313 0.0848
Brugia malayi lysyl-tRNA synthetase 0.0028 0.1029 0.2782
Toxoplasma gondii thioredoxin reductase 0.0051 0.254 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0024 0.0743 0.0576
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.254 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3698 0.3494
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0024 0.0743 0.0576
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.7773 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3698 0.3494
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.6906 0.8837
Brugia malayi Thioredoxin reductase 0.0051 0.254 0.687
Plasmodium vivax glutathione reductase, putative 0.0051 0.254 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3698 0.3494
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.254 0.5663
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.254 0.658
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.6906 0.8766
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0028 0.1029 0.3212
Echinococcus granulosus lysyl tRNA synthetase 0.0028 0.1029 0.2114
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.6906 0.8837
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0028 0.1029 0.3212
Giardia lamblia Lysyl-tRNA synthetase 0.0028 0.1029 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.3698 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 nM Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay ChEMBL. 22877633

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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