Detailed information for compound 510338

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.491 | Formula: C20H20N8OS
  • H donors: 2 H acceptors: 5 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nnc(o1)c1cn2c(c1C(C)C)c(ncn2)Nc1cnc2c(c1)cc([nH]2)C
  • InChi: 1S/C20H20N8OS/c1-10(2)15-14(19-26-27-20(29-19)30-4)8-28-16(15)18(22-9-23-28)25-13-6-12-5-11(3)24-17(12)21-7-13/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
  • InChiKey: QEVHIVQQGVWVBN-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 kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
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
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0008 0.0032 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.3457 1
Loa Loa (eye worm) translation initiation factor 4E 0.0068 0.3457 0.3436
Onchocerca volvulus 0.0167 0.909 0.9761
Leishmania major eukaryotic translation initiation factor-like 0.0068 0.3457 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.0179
Giardia lamblia Hypothetical protein 0.0008 0.0032 0.5
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0068 0.3457 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0068 0.3457 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.021 0.0408
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.021 0.0179
Loa Loa (eye worm) hypothetical protein 0.0018 0.0584 0.0553
Echinococcus granulosus Immunoglobulin 0.0011 0.021 0.0521
Echinococcus multilocularis roundabout 2 0.0018 0.0584 0.115
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.0179
Echinococcus granulosus defective proboscis extension response 0.0011 0.021 0.0521
Schistosoma mansoni hypothetical protein 0.0098 0.5153 1
Leishmania major eukaryotic translation initiation factor-like protein 0.0068 0.3457 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.3457 1
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0008 0.0032 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0068 0.3457 1
Echinococcus granulosus roundabout 2 0.0018 0.0584 0.161
Plasmodium vivax hypothetical protein, conserved 0.0008 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0584 0.0553
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0068 0.3457 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.0179
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.0179
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.021 0.0179
Echinococcus granulosus twitchin 0.0014 0.0374 0.0999
Giardia lamblia hypothetical protein 0.0008 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.042 0.0389
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0068 0.3457 0.6709
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0068 0.3457 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0068 0.3457 0.6688
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.0179
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.3457 1
Echinococcus granulosus neuroglian 0.0014 0.0374 0.0999
Brugia malayi hypothetical protein 0.0011 0.021 0.0179
Giardia lamblia Translation elongation factor 0.0008 0.0032 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.9313 1
Schistosoma mansoni vesicular amine transporter 0.0011 0.021 0.0408
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.021 0.0179
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0068 0.3457 1
Plasmodium vivax translation initiation factor 4E, putative 0.0008 0.0032 0.5
Echinococcus multilocularis neuroglian 0.0014 0.0374 0.0505
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.3457 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0068 0.3457 1
Brugia malayi translation initiation factor 4E 0.0068 0.3457 0.3436
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0068 0.3457 1
Giardia lamblia Hypothetical protein 0.0008 0.0032 0.5
Schistosoma mansoni nephrin 0.0014 0.0374 0.0726
Schistosoma mansoni cell adhesion molecule 0.0015 0.042 0.0814
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.042 0.1132
Trypanosoma brucei RNA helicase, putative 0.0098 0.5153 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.021 0.0408

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.15 uM Inhibition of human VEGFR2 ChEMBL. 18395443
IC50 (binding) = 0.15 uM Inhibition of human VEGFR2 ChEMBL. 18395443

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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