Detailed information for compound 691164

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.444 | Formula: C20H16N6O3S
  • H donors: 3 H acceptors: 6 LogP: 2.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc2n1c(cc(n2)O)c1ccccc1
  • InChi: 1S/C20H16N6O3S/c21-18(29)13-6-8-14(9-7-13)22-17(28)11-30-20-25-24-19-23-16(27)10-15(26(19)20)12-4-2-1-3-5-12/h1-10H,11H2,(H2,21,29)(H,22,28)(H,23,24,27)
  • InChiKey: HAIGARUQFXZBPQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0307 1 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0061 0 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0307 1 0.5
Brugia malayi Protein kinase domain containing protein 0.0165 0.4247 0.6286
Giardia lamblia Kinase, CMGC CLK 0.0061 0 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0158 0.3931 0.5818
Echinococcus granulosus c-Jun N-terminal kinases 0.0227 0.6756 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0061 0 0.5
Leishmania major protein kinase, putative 0.0061 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0061 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.4247 0.6286
Brugia malayi Protein kinase domain containing protein 0.0158 0.3931 0.5818
Schistosoma mansoni serine/threonine protein kinase 0.0158 0.3931 0.5818
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0307 1 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0158 0.3931 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0158 0.3931 0.5818
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0307 1 0.5
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0158 0.3931 0.5818
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0061 0 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0227 0.6756 1
Leishmania major protein kinase, putative 0.0061 0 0.5
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0165 0.4247 0.6286
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0158 0.3931 0.5818
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0227 0.6756 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0061 0 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0307 1 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0061 0 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0307 1 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0307 1 0.5
Brugia malayi Stress-activated protein kinase jnk-1 0.0227 0.6756 1
Schistosoma mansoni serine/threonine protein kinase 0.0227 0.6756 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0061 0 0.5
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0061 0 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0158 0.3931 0.5818

Activities

No activities found for this compound.

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

No literature references available for this target.

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