Detailed information for compound 1848535

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 185.182 | Formula: C10H7N3O
  • H donors: 1 H acceptors: 2 LogP: 1.68 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncnc2c1oc1c2cccc1
  • InChi: 1S/C10H7N3O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13)
  • InChiKey: KLGPSUOHSZMZQM-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 LIM domain kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05743 LIM domain kinase 1, putative Get druggable targets OG5_131191 All targets in OG5_131191
Schistosoma mansoni protein kinase Get druggable targets OG5_131191 All targets in OG5_131191
Echinococcus granulosus dual specificity testis-specific protein kinase Get druggable targets OG5_131191 All targets in OG5_131191
Echinococcus multilocularis dual specificity testis specific protein kinase Get druggable targets OG5_131191 All targets in OG5_131191
Schistosoma mansoni protein kinase Get druggable targets OG5_131191 All targets in OG5_131191
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
Schistosoma mansoni lim domain 0.0003 0.0004 0.0005
Onchocerca volvulus Big bang homolog 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi DIX domain containing protein 0.0002 0 0.5
Brugia malayi Partitioning defective-6 homolog alpha 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0003 0.0004 0.0005
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi Guanylate kinase family protein 0.0002 0 0.5
Brugia malayi PDZ domain containing protein 0.0002 0 0.5
Brugia malayi Protein-tyrosine phosphatase 1 0.0002 0 0.5
Brugia malayi PDZ domain containing protein 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi PDZ-domain protein scribble 0.0002 0 0.5
Brugia malayi hypothetical protein 0.0002 0 0.5
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0003 0.0004 0.0005
Brugia malayi rho guanine nucleotide exchange factor 12 0.0002 0 0.5
Brugia malayi hypothetical protein 0.0002 0 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi PDZ domain containing protein 0.0002 0 0.5
Brugia malayi cell junction protein LIN-7 0.0002 0 0.5
Brugia malayi Abnormal embryonic partitioning of cytoplasm protein 3 0.0002 0 0.5
Brugia malayi PX domain containing protein 0.0002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Brugia malayi Neurabin protein 1 0.0002 0 0.5
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0188 0.7385 1
Brugia malayi Hypothetical 13.5 kDa protein C45G9.7 in chromosome III 0.0002 0 0.5
Brugia malayi hypothetical protein 0.0002 0 0.5
Brugia malayi microtubule-associated serine/threonine protein kinase 2 (MAST2) 0.0002 0 0.5
Brugia malayi Synapse defective protein 1 0.0002 0 0.5
Schistosoma mansoni pdz and lim domain protein 0.0003 0.0004 0.0005
Brugia malayi PDZ domain 0.0002 0 0.5
Brugia malayi PDZ domain containing protein 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Schistosoma mansoni protein kinase 0.0188 0.7385 1
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0002 0 0.5
Brugia malayi hypothetical protein 0.0002 0 0.5
Brugia malayi protein kinase C-binding protein PICK1 0.0002 0 0.5
Brugia malayi syntenin 0.0002 0 0.5
Onchocerca volvulus Arc homolog 0.0002 0 0.5
Brugia malayi 9ORF binding protein 1 0.0002 0 0.5
Brugia malayi PDZ domain 0.0002 0 0.5
Brugia malayi Ferm domain 0.0002 0 0.5
Chlamydia trachomatis tail-specific protease 0.0002 0 0.5
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0003 0.0004 0.0005
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi gopc protein 0.0002 0 0.5
Brugia malayi Syntrophin-1 0.0002 0 0.5
Schistosoma mansoni protein kinase 0.0188 0.7385 1
Brugia malayi Guanylate kinase family protein 0.0002 0 0.5
Brugia malayi hypothetical protein 0.0002 0 0.5
Brugia malayi gamma-syntrophin-like protein SYN2 0.0002 0 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0254 1 1
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi RasGEF domain containing protein 0.0002 0 0.5
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0002 0 0.5
Brugia malayi C2 domain containing protein 0.0002 0 0.5
Toxoplasma gondii hypothetical protein 0.0254 1 0.5
Brugia malayi hypothetical protein 0.0002 0 0.5
Brugia malayi interleukin-16 0.0002 0 0.5
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0188 0.7385 1
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Onchocerca volvulus 0.0002 0 0.5
Brugia malayi Patj homolog 0.0002 0 0.5
Brugia malayi Shank2E 0.0002 0 0.5
Brugia malayi Peripheral plasma membrane protein CASK 0.0002 0 0.5
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0003 0.0004 0.0005

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins by Kinase-Glo assay ChEMBL. No reference

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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